REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1ih7_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKEFYLTVEQ IGDSIFERYI DSNGRERTRE VEYKPSLFAH CPESQATKYF DATA SEQUENCE DIYGKPCTRK LFANMRDASQ WIKRMEDIGL EALGMDDFKL AYLSDTYNYE DATA SEQUENCE IKYDHTKIRV ANFDIEVTSP DGFPEPSQAK HPIDAITHYD SIDDRFYVFD DATA SEQUENCE LLNSPYGNVE EWSIEIAAKL QEQGGDEVPS EIIDKIIYMP FDNEKELLME DATA SEQUENCE YLNFWQQKTP VILTGWNVES FDIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIDVYR VLQIDAKRQF INLSLDMGYY DATA SEQUENCE AKIQIQSVFS PIKTWDAIIF NSLKEQNKVI PQGRSHPVQP YPGAFVKEPI DATA SEQUENCE PNRYKYVMSF DLTSLYPSII RQVNISPETI AGTFKVAPLH DYINAVAERP DATA SEQUENCE SDVYSCSPNG MMYYKDRDGV VPTEITKVFN QRKEHKGYML AAQRNGEIIK DATA SEQUENCE EALHNPNLSV DEPLDVDYRF DFSDEIKEKI KKLSAKSLNE MLFRAQRTEV DATA SEQUENCE AGMTAQINRK LLINSLYGAL GNVWFRYYDL RNATAITTFG QMALQWIERK DATA SEQUENCE VNEYLNEVCG TEGEAFVLYG DTDSIYVSAD KIIDKVGESK FRDTNHWVDF DATA SEQUENCE LDKFARERME PAIDRGFREM CEYMNNKQHL MFMDREAIAG PPLGSKGIGG DATA SEQUENCE FWTGKKRYAL NVWDMEGTRY AEPKLKIMGL ETQKSSTPKA VQKALKECIR DATA SEQUENCE RMLQEGEESL QEYFKEFEKE FRQLNYISIA SVSSANNIAK YDVGGFPGPK DATA SEQUENCE CPFHIRGILT YNRAIXXXXX XPQVVEGEKV YVLPLREGNP FGDKCIAWPS DATA SEQUENCE GTEITDLIKD DVLHWMDYTV LLEKTFIKPL EGFTSAAKLD YEKKASLFDM DATA SEQUENCE FDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.334 176.300 0.057 0.000 1.140 1 M CA 0.000 55.325 55.300 0.041 0.000 0.988 1 M CB 0.000 32.639 32.600 0.066 0.000 1.302 2 K N 2.288 122.721 120.400 0.054 0.000 2.383 2 K HA 0.159 4.479 4.320 0.001 0.000 0.286 2 K C -0.204 176.560 176.600 0.274 0.000 1.051 2 K CA -0.061 56.269 56.287 0.072 0.000 0.974 2 K CB 0.431 32.914 32.500 -0.028 0.000 0.968 2 K HN 0.513 nan 8.250 nan 0.000 0.475 3 E N 3.257 123.656 120.200 0.331 0.000 2.374 3 E HA 0.291 4.642 4.350 0.001 0.000 0.260 3 E C -0.529 176.462 176.600 0.651 0.000 1.101 3 E CA -0.669 55.973 56.400 0.403 0.000 0.907 3 E CB 0.482 30.407 29.700 0.375 0.000 1.014 3 E HN 0.366 nan 8.360 nan 0.000 0.427 4 F N -1.244 118.926 119.950 0.365 0.000 2.588 4 F HA 0.452 4.980 4.527 0.001 0.000 0.310 4 F C -0.918 174.959 175.800 0.128 0.000 1.082 4 F CA -1.758 56.305 58.000 0.106 0.000 0.929 4 F CB 0.487 39.344 39.000 -0.239 0.000 1.254 4 F HN 0.523 nan 8.300 nan 0.000 0.455 5 Y N 1.240 121.515 120.300 -0.042 0.000 2.314 5 Y HA 0.592 5.143 4.550 0.001 0.000 0.334 5 Y C -0.259 175.827 175.900 0.309 0.000 1.266 5 Y CA -0.889 57.303 58.100 0.152 0.000 1.391 5 Y CB 0.203 38.670 38.460 0.011 0.000 1.306 5 Y HN 0.595 nan 8.280 nan 0.000 0.558 6 L N 0.934 122.401 121.223 0.407 0.000 2.541 6 L HA 0.275 4.616 4.340 0.001 0.000 0.187 6 L C 0.675 177.749 176.870 0.340 0.000 1.098 6 L CA 1.451 56.465 54.840 0.290 0.000 0.846 6 L CB -0.630 41.539 42.059 0.183 0.000 1.151 6 L HN 1.032 nan 8.230 nan 0.000 0.492 7 T N -3.010 111.754 114.554 0.350 0.000 2.868 7 T HA 0.676 5.026 4.350 0.001 0.000 0.306 7 T C -1.090 173.759 174.700 0.249 0.000 1.224 7 T CA -0.664 61.598 62.100 0.271 0.000 1.012 7 T CB 2.233 71.218 68.868 0.194 0.000 1.221 7 T HN -0.104 nan 8.240 nan 0.000 0.499 8 V N 0.610 120.609 119.914 0.141 0.000 2.971 8 V HA 0.807 4.927 4.120 0.001 0.000 0.309 8 V C -1.851 174.271 176.094 0.048 0.000 1.130 8 V CA -0.471 61.868 62.300 0.065 0.000 0.964 8 V CB 1.975 33.774 31.823 -0.039 0.000 1.029 8 V HN 1.112 nan 8.190 nan 0.000 0.427 9 E N 3.642 123.877 120.200 0.058 0.000 2.392 9 E HA 0.337 4.688 4.350 0.001 0.000 0.279 9 E C -1.707 174.970 176.600 0.128 0.000 0.964 9 E CA -0.624 55.839 56.400 0.104 0.000 0.777 9 E CB 2.514 32.361 29.700 0.245 0.000 1.249 9 E HN 0.742 nan 8.360 nan 0.000 0.449 10 Q N 2.106 122.007 119.800 0.170 0.000 2.322 10 Q HA 0.555 4.895 4.340 0.001 0.000 0.265 10 Q C -1.075 175.064 176.000 0.231 0.000 0.985 10 Q CA -0.422 55.488 55.803 0.178 0.000 0.849 10 Q CB 0.872 29.708 28.738 0.164 0.000 1.274 10 Q HN 0.511 nan 8.270 nan 0.000 0.449 11 I N 4.888 125.595 120.570 0.228 0.000 2.493 11 I HA 0.369 4.540 4.170 0.001 0.000 0.279 11 I C 0.639 176.845 176.117 0.147 0.000 1.045 11 I CA -0.308 61.074 61.300 0.136 0.000 1.106 11 I CB 1.173 39.173 38.000 0.000 0.000 1.216 11 I HN 1.030 nan 8.210 nan 0.000 0.459 12 G N 5.676 114.533 108.800 0.094 0.000 2.561 12 G HA2 -0.278 3.683 3.960 0.001 0.000 0.289 12 G HA3 -0.278 3.683 3.960 0.001 0.000 0.289 12 G C 0.336 175.280 174.900 0.072 0.000 1.169 12 G CA 0.285 45.429 45.100 0.074 0.000 0.980 12 G HN 0.570 nan 8.290 nan 0.000 0.550 13 D N 1.829 122.258 120.400 0.048 0.000 2.336 13 D HA 0.374 5.014 4.640 0.001 0.000 0.228 13 D C 0.932 177.236 176.300 0.007 0.000 1.120 13 D CA 1.144 55.154 54.000 0.015 0.000 0.839 13 D CB -0.004 40.793 40.800 -0.006 0.000 0.932 13 D HN 0.736 nan 8.370 nan 0.000 0.509 14 S N -0.486 115.231 115.700 0.028 0.000 2.569 14 S HA 0.533 5.003 4.470 0.001 0.000 0.280 14 S C -0.558 174.010 174.600 -0.054 0.000 1.111 14 S CA -0.950 57.215 58.200 -0.058 0.000 0.887 14 S CB 2.260 65.347 63.200 -0.188 0.000 1.095 14 S HN -0.142 nan 8.310 nan 0.000 0.476 15 I N 2.093 122.541 120.570 -0.204 0.000 2.315 15 I HA 0.371 4.542 4.170 0.001 0.000 0.291 15 I C -1.047 174.856 176.117 -0.356 0.000 1.006 15 I CA -0.681 60.449 61.300 -0.284 0.000 1.265 15 I CB 0.354 37.945 38.000 -0.682 0.000 1.387 15 I HN 0.664 nan 8.210 nan 0.000 0.475 16 F N 5.143 124.938 119.950 -0.258 0.000 2.391 16 F HA 0.332 4.859 4.527 0.001 0.000 0.359 16 F C 0.719 176.410 175.800 -0.181 0.000 1.122 16 F CA -0.277 57.538 58.000 -0.307 0.000 1.120 16 F CB 0.984 39.588 39.000 -0.659 0.000 1.142 16 F HN 0.439 nan 8.300 nan 0.000 0.483 17 E N 4.732 124.966 120.200 0.056 0.000 2.248 17 E HA 0.433 4.783 4.350 0.001 0.000 0.267 17 E C -1.019 175.803 176.600 0.369 0.000 0.877 17 E CA -0.889 55.625 56.400 0.190 0.000 0.759 17 E CB 1.364 31.135 29.700 0.119 0.000 1.182 17 E HN 0.568 nan 8.360 nan 0.000 0.418 18 R N 3.098 123.835 120.500 0.395 0.000 2.460 18 R HA 0.417 4.758 4.340 0.001 0.000 0.303 18 R C -1.111 175.436 176.300 0.411 0.000 0.968 18 R CA -0.587 55.720 56.100 0.345 0.000 0.889 18 R CB 1.219 31.655 30.300 0.227 0.000 1.123 18 R HN 0.517 nan 8.270 nan 0.000 0.455 19 Y N -0.524 119.836 120.300 0.101 0.000 2.725 19 Y HA 0.488 5.039 4.550 0.001 0.000 0.333 19 Y C -1.356 174.473 175.900 -0.119 0.000 1.242 19 Y CA -1.509 56.611 58.100 0.034 0.000 1.059 19 Y CB 0.931 39.494 38.460 0.171 0.000 1.306 19 Y HN 0.197 nan 8.280 nan 0.000 0.454 20 I N 3.819 124.150 120.570 -0.398 0.000 2.312 20 I HA 0.192 4.362 4.170 0.001 0.000 0.290 20 I C -0.249 175.731 176.117 -0.228 0.000 1.008 20 I CA -0.476 60.498 61.300 -0.542 0.000 1.226 20 I CB 0.469 37.829 38.000 -1.067 0.000 1.371 20 I HN 0.838 nan 8.210 nan 0.000 0.468 21 D N 4.293 124.571 120.400 -0.204 0.000 2.414 21 D HA 0.090 4.731 4.640 0.001 0.000 0.259 21 D C 0.975 177.321 176.300 0.076 0.000 1.269 21 D CA -0.416 53.633 54.000 0.082 0.000 1.028 21 D CB 0.483 41.312 40.800 0.047 0.000 1.093 21 D HN 0.299 nan 8.370 nan 0.000 0.545 22 S N -0.848 114.918 115.700 0.111 0.000 2.402 22 S HA -0.141 4.329 4.470 0.001 0.000 0.233 22 S C 1.113 175.742 174.600 0.049 0.000 1.030 22 S CA 0.895 59.144 58.200 0.080 0.000 1.003 22 S CB -0.457 62.784 63.200 0.068 0.000 0.813 22 S HN 0.472 nan 8.310 nan 0.000 0.477 23 N N 0.514 119.232 118.700 0.029 0.000 2.314 23 N HA 0.161 4.902 4.740 0.001 0.000 0.200 23 N C 1.079 176.591 175.510 0.003 0.000 1.135 23 N CA 0.643 53.702 53.050 0.015 0.000 0.835 23 N CB 0.462 38.954 38.487 0.007 0.000 0.989 23 N HN 0.481 nan 8.380 nan 0.000 0.478 24 G N 1.343 110.143 108.800 0.001 0.000 2.168 24 G HA2 -0.330 3.630 3.960 0.001 0.000 0.257 24 G HA3 -0.330 3.630 3.960 0.001 0.000 0.257 24 G C 0.227 175.095 174.900 -0.053 0.000 0.997 24 G CA 0.213 45.307 45.100 -0.010 0.000 0.708 24 G HN 0.429 nan 8.290 nan 0.000 0.520 25 R N 0.423 120.872 120.500 -0.085 0.000 2.474 25 R HA 0.498 4.839 4.340 0.001 0.000 0.295 25 R C 0.207 176.387 176.300 -0.199 0.000 0.980 25 R CA -0.660 55.375 56.100 -0.109 0.000 0.934 25 R CB 0.665 30.916 30.300 -0.083 0.000 1.101 25 R HN 0.345 nan 8.270 nan 0.000 0.469 26 E N 3.840 123.929 120.200 -0.185 0.000 2.316 26 E HA 0.091 4.442 4.350 0.001 0.000 0.275 26 E C -0.720 175.715 176.600 -0.276 0.000 1.029 26 E CA -0.113 56.141 56.400 -0.243 0.000 0.871 26 E CB 0.607 30.215 29.700 -0.154 0.000 1.022 26 E HN 0.427 nan 8.360 nan 0.000 0.418 27 R N 2.612 122.839 120.500 -0.455 0.000 2.869 27 R HA 0.536 4.877 4.340 0.001 0.000 0.263 27 R C -0.974 175.217 176.300 -0.182 0.000 1.066 27 R CA -0.939 54.945 56.100 -0.360 0.000 0.960 27 R CB 1.934 31.947 30.300 -0.478 0.000 1.221 27 R HN 0.433 nan 8.270 nan 0.000 0.474 28 T N 1.474 116.064 114.554 0.059 0.000 2.893 28 T HA 0.576 4.926 4.350 0.001 0.000 0.293 28 T C -0.733 174.123 174.700 0.259 0.000 1.027 28 T CA -1.022 61.215 62.100 0.230 0.000 0.988 28 T CB 2.066 71.065 68.868 0.219 0.000 1.043 28 T HN 0.676 nan 8.240 nan 0.000 0.461 29 R N 0.713 121.359 120.500 0.244 0.000 2.707 29 R HA 0.686 5.027 4.340 0.001 0.000 0.272 29 R C -1.565 174.667 176.300 -0.113 0.000 1.011 29 R CA -1.065 55.091 56.100 0.093 0.000 0.893 29 R CB 1.995 32.370 30.300 0.126 0.000 1.233 29 R HN 0.576 nan 8.270 nan 0.000 0.464 30 E N 2.017 122.071 120.200 -0.242 0.000 2.129 30 E HA 0.367 4.718 4.350 0.001 0.000 0.268 30 E C -1.332 175.081 176.600 -0.312 0.000 0.900 30 E CA -0.909 55.171 56.400 -0.533 0.000 0.755 30 E CB 2.020 31.322 29.700 -0.664 0.000 1.117 30 E HN 0.407 nan 8.360 nan 0.000 0.410 31 V N 4.397 124.132 119.914 -0.298 0.000 2.495 31 V HA 0.198 4.318 4.120 0.001 0.000 0.298 31 V C -0.213 175.827 176.094 -0.091 0.000 1.031 31 V CA -0.746 61.474 62.300 -0.133 0.000 0.871 31 V CB 1.706 33.506 31.823 -0.038 0.000 0.988 31 V HN 0.733 nan 8.190 nan 0.000 0.432 32 E N 3.699 123.879 120.200 -0.034 0.000 1.979 32 E HA 0.141 4.492 4.350 0.001 0.000 0.285 32 E C -0.808 175.824 176.600 0.054 0.000 1.188 32 E CA -0.365 56.027 56.400 -0.014 0.000 1.214 32 E CB 0.171 29.851 29.700 -0.033 0.000 1.210 32 E HN 0.596 nan 8.360 nan 0.000 0.477 33 Y N 2.505 122.772 120.300 -0.055 0.000 2.717 33 Y HA -0.097 4.454 4.550 0.001 0.000 0.330 33 Y C 0.010 175.870 175.900 -0.067 0.000 1.217 33 Y CA 0.052 58.146 58.100 -0.009 0.000 1.506 33 Y CB 0.410 38.895 38.460 0.042 0.000 1.268 33 Y HN 0.081 nan 8.280 nan 0.000 0.561 34 K N 9.275 129.338 120.400 -0.562 0.000 2.354 34 K HA 0.275 4.595 4.320 0.001 0.000 0.257 34 K C -2.593 173.471 176.600 -0.894 0.000 1.062 34 K CA -1.770 54.192 56.287 -0.541 0.000 0.971 34 K CB 0.902 33.227 32.500 -0.292 0.000 1.305 34 K HN 0.486 nan 8.250 nan 0.000 0.449 35 P HA 0.099 nan 4.420 nan 0.000 0.274 35 P C -0.584 176.591 177.300 -0.208 0.000 1.246 35 P CA -0.403 62.325 63.100 -0.620 0.000 0.795 35 P CB 1.091 32.426 31.700 -0.607 0.000 1.006 36 S N 0.652 116.311 115.700 -0.068 0.000 2.500 36 S HA 0.621 5.092 4.470 0.001 0.000 0.301 36 S C -0.075 174.484 174.600 -0.069 0.000 1.092 36 S CA -0.536 57.584 58.200 -0.133 0.000 1.030 36 S CB 0.649 63.719 63.200 -0.216 0.000 1.031 36 S HN 0.315 nan 8.310 nan 0.000 0.483 37 L N 1.679 122.778 121.223 -0.208 0.000 2.183 37 L HA 0.761 5.101 4.340 0.001 0.000 0.253 37 L C -1.477 175.099 176.870 -0.490 0.000 1.048 37 L CA -0.924 53.877 54.840 -0.064 0.000 0.890 37 L CB 1.370 43.523 42.059 0.158 0.000 1.476 37 L HN 0.566 nan 8.230 nan 0.000 0.455 38 F N -0.263 119.715 119.950 0.048 0.000 2.599 38 F HA 0.775 5.303 4.527 0.001 0.000 0.311 38 F C -0.133 175.766 175.800 0.165 0.000 1.076 38 F CA -0.680 57.324 58.000 0.008 0.000 0.937 38 F CB 2.146 41.112 39.000 -0.056 0.000 1.282 38 F HN 0.363 nan 8.300 nan 0.000 0.460 39 A N 0.584 123.582 122.820 0.297 0.000 2.475 39 A HA 0.655 4.975 4.320 0.001 0.000 0.301 39 A C -1.424 176.249 177.584 0.147 0.000 1.059 39 A CA -0.680 51.504 52.037 0.244 0.000 0.710 39 A CB 0.612 19.840 19.000 0.380 0.000 1.288 39 A HN 0.918 nan 8.150 nan 0.000 0.408 40 H N -0.561 118.610 119.070 0.169 0.000 2.852 40 H HA 0.361 4.917 4.556 0.001 0.000 0.362 40 H C 0.558 175.943 175.328 0.096 0.000 1.122 40 H CA 1.276 57.395 56.048 0.118 0.000 1.419 40 H CB 0.546 30.364 29.762 0.093 0.000 1.401 40 H HN 0.958 nan 8.280 nan 0.000 0.609 41 C N 1.980 121.407 119.300 0.211 0.000 3.171 41 C HA 0.567 5.028 4.460 0.001 0.000 0.308 41 C C -2.629 172.415 174.990 0.089 0.000 1.334 41 C CA -2.183 56.909 59.018 0.124 0.000 1.473 41 C CB 1.471 29.266 27.740 0.091 0.000 1.866 41 C HN 0.599 nan 8.230 nan 0.000 0.465 42 P HA 0.152 nan 4.420 nan 0.000 0.272 42 P C 0.875 178.205 177.300 0.051 0.000 1.223 42 P CA 0.435 63.565 63.100 0.051 0.000 0.784 42 P CB 0.674 32.400 31.700 0.042 0.000 0.923 43 E N 1.410 121.644 120.200 0.056 0.000 2.219 43 E HA -0.168 4.182 4.350 0.001 0.000 0.198 43 E C 1.271 177.907 176.600 0.060 0.000 0.998 43 E CA 1.568 58.011 56.400 0.071 0.000 0.818 43 E CB -1.184 28.561 29.700 0.075 0.000 0.741 43 E HN 0.347 nan 8.360 nan 0.000 0.477 44 S N 0.962 116.690 115.700 0.046 0.000 2.374 44 S HA -0.168 4.302 4.470 0.001 0.000 0.227 44 S C 1.196 175.818 174.600 0.037 0.000 1.037 44 S CA 1.050 59.273 58.200 0.039 0.000 1.024 44 S CB -0.263 62.956 63.200 0.031 0.000 0.861 44 S HN 0.250 nan 8.310 nan 0.000 0.456 45 Q N 1.968 121.789 119.800 0.035 0.000 2.276 45 Q HA 0.369 4.710 4.340 0.001 0.000 0.267 45 Q C -0.469 175.546 176.000 0.025 0.000 1.135 45 Q CA -0.164 55.656 55.803 0.030 0.000 0.910 45 Q CB 0.242 28.999 28.738 0.032 0.000 1.271 45 Q HN 0.378 nan 8.270 nan 0.000 0.417 46 A N 4.281 127.119 122.820 0.029 0.000 2.409 46 A HA 0.559 4.880 4.320 0.001 0.000 0.262 46 A C 0.164 177.756 177.584 0.015 0.000 1.113 46 A CA 0.232 52.289 52.037 0.033 0.000 0.790 46 A CB 0.269 19.293 19.000 0.040 0.000 1.046 46 A HN 0.806 nan 8.150 nan 0.000 0.496 47 T N -0.921 113.625 114.554 -0.015 0.000 2.731 47 T HA 0.520 4.871 4.350 0.001 0.000 0.300 47 T C 0.194 174.847 174.700 -0.079 0.000 1.283 47 T CA -0.273 61.797 62.100 -0.050 0.000 1.005 47 T CB 1.360 70.211 68.868 -0.029 0.000 1.420 47 T HN 0.625 nan 8.240 nan 0.000 0.503 48 K N -0.907 119.377 120.400 -0.193 0.000 2.358 48 K HA 0.249 4.570 4.320 0.001 0.000 0.200 48 K C -0.753 175.748 176.600 -0.164 0.000 1.030 48 K CA -0.432 55.776 56.287 -0.132 0.000 1.097 48 K CB 0.051 32.377 32.500 -0.288 0.000 0.862 48 K HN 0.592 nan 8.250 nan 0.000 0.534 49 Y N 1.002 121.242 120.300 -0.100 0.000 2.326 49 Y HA 0.405 4.956 4.550 0.001 0.000 0.337 49 Y C -0.419 175.216 175.900 -0.441 0.000 1.023 49 Y CA -1.100 56.923 58.100 -0.128 0.000 1.143 49 Y CB 0.645 39.083 38.460 -0.037 0.000 1.183 49 Y HN -0.162 nan 8.280 nan 0.000 0.485 50 F N 1.453 121.493 119.950 0.151 0.000 2.588 50 F HA 0.280 4.809 4.527 0.002 0.000 0.310 50 F C -0.242 175.613 175.800 0.092 0.000 1.082 50 F CA -1.449 56.626 58.000 0.124 0.000 0.929 50 F CB 1.493 40.544 39.000 0.085 0.000 1.254 50 F HN 0.487 nan 8.300 nan 0.000 0.455 51 D N 1.009 121.591 120.400 0.304 0.000 2.433 51 D HA 0.145 4.786 4.640 0.001 0.000 0.255 51 D C 1.301 177.702 176.300 0.167 0.000 1.226 51 D CA -0.422 53.713 54.000 0.226 0.000 1.015 51 D CB 0.416 41.420 40.800 0.341 0.000 1.091 51 D HN 0.620 nan 8.370 nan 0.000 0.527 52 I N -3.127 117.461 120.570 0.030 0.000 2.700 52 I HA -0.162 4.009 4.170 0.001 0.000 0.261 52 I C 0.755 176.722 176.117 -0.250 0.000 1.219 52 I CA 0.827 62.041 61.300 -0.144 0.000 1.463 52 I CB -0.552 37.298 38.000 -0.251 0.000 1.092 52 I HN 0.172 nan 8.210 nan 0.000 0.452 53 Y N 2.150 122.528 120.300 0.130 0.000 2.490 53 Y HA 0.380 4.931 4.550 0.001 0.000 0.281 53 Y C 2.024 177.979 175.900 0.091 0.000 1.174 53 Y CA 0.335 58.495 58.100 0.100 0.000 1.295 53 Y CB 0.118 38.635 38.460 0.095 0.000 1.062 53 Y HN 0.408 nan 8.280 nan 0.000 0.522 54 G N -0.350 108.576 108.800 0.211 0.000 2.175 54 G HA2 -0.243 3.718 3.960 0.001 0.000 0.244 54 G HA3 -0.243 3.718 3.960 0.001 0.000 0.244 54 G C 0.201 175.305 174.900 0.341 0.000 0.982 54 G CA -0.391 44.821 45.100 0.186 0.000 0.641 54 G HN 0.114 nan 8.290 nan 0.000 0.527 55 K N 1.798 122.405 120.400 0.344 0.000 2.322 55 K HA 0.347 4.668 4.320 0.001 0.000 0.283 55 K C -2.176 174.636 176.600 0.352 0.000 1.042 55 K CA -1.675 54.785 56.287 0.289 0.000 0.958 55 K CB 1.462 34.019 32.500 0.095 0.000 0.984 55 K HN 0.246 nan 8.250 nan 0.000 0.473 56 P HA 0.071 nan 4.420 nan 0.000 0.268 56 P C -0.463 176.849 177.300 0.019 0.000 1.205 56 P CA -0.250 62.754 63.100 -0.159 0.000 0.771 56 P CB 0.622 32.257 31.700 -0.108 0.000 0.858 57 C N 1.097 120.360 119.300 -0.062 0.000 2.994 57 C HA 0.673 5.134 4.460 0.001 0.000 0.304 57 C C 0.317 175.405 174.990 0.165 0.000 1.273 57 C CA -0.202 58.889 59.018 0.122 0.000 1.537 57 C CB 2.105 29.935 27.740 0.151 0.000 2.001 57 C HN 0.583 nan 8.230 nan 0.000 0.471 58 T N 0.722 115.386 114.554 0.184 0.000 2.863 58 T HA 0.552 4.902 4.350 0.001 0.000 0.285 58 T C -0.621 174.080 174.700 0.001 0.000 1.009 58 T CA -0.422 61.755 62.100 0.127 0.000 0.989 58 T CB 0.824 69.724 68.868 0.054 0.000 1.004 58 T HN 0.745 nan 8.240 nan 0.000 0.455 59 R N 2.850 123.223 120.500 -0.210 0.000 2.357 59 R HA 0.436 4.776 4.340 0.001 0.000 0.296 59 R C -0.582 175.355 176.300 -0.604 0.000 1.052 59 R CA -0.580 55.068 56.100 -0.754 0.000 0.988 59 R CB 0.368 30.177 30.300 -0.819 0.000 1.025 59 R HN 0.353 nan 8.270 nan 0.000 0.469 60 K N 5.282 125.217 120.400 -0.775 0.000 2.394 60 K HA 0.241 4.561 4.320 0.001 0.000 0.260 60 K C -0.949 175.130 176.600 -0.867 0.000 0.967 60 K CA -0.691 55.096 56.287 -0.834 0.000 0.855 60 K CB 1.609 33.444 32.500 -1.109 0.000 1.101 60 K HN 0.441 nan 8.250 nan 0.000 0.433 61 L N 4.776 125.551 121.223 -0.747 0.000 2.264 61 L HA 0.477 4.817 4.340 0.001 0.000 0.289 61 L C -1.104 175.354 176.870 -0.687 0.000 1.044 61 L CA -0.353 54.154 54.840 -0.554 0.000 0.807 61 L CB 0.029 41.871 42.059 -0.363 0.000 1.192 61 L HN 0.396 nan 8.230 nan 0.000 0.425 62 F N 2.860 122.591 119.950 -0.366 0.000 2.399 62 F HA 0.467 4.994 4.527 0.001 0.000 0.328 62 F C 1.383 177.019 175.800 -0.273 0.000 1.084 62 F CA -0.221 57.587 58.000 -0.320 0.000 1.053 62 F CB 1.502 40.300 39.000 -0.338 0.000 1.209 62 F HN 0.639 nan 8.300 nan 0.000 0.502 63 A N 1.755 124.556 122.820 -0.032 0.000 1.969 63 A HA 0.006 4.326 4.320 0.001 0.000 0.218 63 A C 0.216 177.753 177.584 -0.078 0.000 1.169 63 A CA 1.637 53.633 52.037 -0.068 0.000 0.635 63 A CB -0.898 18.073 19.000 -0.048 0.000 0.810 63 A HN 0.879 nan 8.150 nan 0.000 0.445 64 N N -4.416 114.239 118.700 -0.074 0.000 2.927 64 N HA 0.381 5.122 4.740 0.001 0.000 0.248 64 N C -0.064 175.310 175.510 -0.228 0.000 1.443 64 N CA -0.562 52.411 53.050 -0.128 0.000 0.870 64 N CB 0.270 38.712 38.487 -0.075 0.000 1.444 64 N HN -0.079 nan 8.380 nan 0.000 0.519 65 M N -0.807 118.621 119.600 -0.287 0.000 2.296 65 M HA -0.027 4.453 4.480 0.001 0.000 0.265 65 M C 1.925 178.078 176.300 -0.245 0.000 1.064 65 M CA 1.323 56.327 55.300 -0.495 0.000 1.109 65 M CB -0.276 32.108 32.600 -0.359 0.000 1.396 65 M HN 0.679 nan 8.290 nan 0.000 0.430 66 R N 1.142 121.581 120.500 -0.101 0.000 2.081 66 R HA -0.136 4.204 4.340 0.001 0.000 0.235 66 R C 1.299 177.575 176.300 -0.040 0.000 1.131 66 R CA 1.957 58.042 56.100 -0.025 0.000 0.960 66 R CB -0.649 29.649 30.300 -0.003 0.000 0.856 66 R HN 0.225 nan 8.270 nan 0.000 0.436 67 D N 0.184 120.546 120.400 -0.063 0.000 2.117 67 D HA -0.075 4.566 4.640 0.001 0.000 0.197 67 D C 1.714 177.890 176.300 -0.207 0.000 0.987 67 D CA 1.781 55.776 54.000 -0.008 0.000 0.829 67 D CB -0.417 40.453 40.800 0.117 0.000 0.961 67 D HN 0.391 nan 8.370 nan 0.000 0.460 68 A N 0.385 122.842 122.820 -0.605 0.000 1.902 68 A HA -0.154 4.167 4.320 0.001 0.000 0.217 68 A C 2.406 179.836 177.584 -0.257 0.000 1.181 68 A CA 1.815 53.161 52.037 -1.152 0.000 0.623 68 A CB -0.553 17.822 19.000 -1.041 0.000 0.818 68 A HN 0.160 nan 8.150 nan 0.000 0.443 69 S N -0.292 115.408 115.700 0.001 0.000 2.368 69 S HA -0.164 4.307 4.470 0.001 0.000 0.225 69 S C 2.155 176.792 174.600 0.062 0.000 1.030 69 S CA 1.337 59.605 58.200 0.112 0.000 0.999 69 S CB -0.290 62.994 63.200 0.140 0.000 0.844 69 S HN 0.598 nan 8.310 nan 0.000 0.459 70 Q N -0.258 119.573 119.800 0.052 0.000 2.084 70 Q HA -0.123 4.218 4.340 0.001 0.000 0.202 70 Q C 1.869 177.932 176.000 0.106 0.000 0.978 70 Q CA 1.182 57.026 55.803 0.068 0.000 0.844 70 Q CB -0.494 28.290 28.738 0.077 0.000 0.898 70 Q HN 0.741 nan 8.270 nan 0.000 0.426 71 W N 1.566 122.839 121.300 -0.046 0.000 2.335 71 W HA -0.184 4.476 4.660 0.001 0.000 0.311 71 W C 1.903 178.426 176.519 0.006 0.000 1.213 71 W CA 1.402 58.761 57.345 0.024 0.000 1.274 71 W CB -0.413 29.113 29.460 0.110 0.000 1.148 71 W HN 0.043 nan 8.180 nan 0.000 0.498 72 I N 0.686 121.310 120.570 0.090 0.000 2.163 72 I HA -0.370 3.801 4.170 0.001 0.000 0.243 72 I C 2.739 178.758 176.117 -0.164 0.000 1.085 72 I CA 1.614 62.865 61.300 -0.081 0.000 1.347 72 I CB -0.752 37.272 38.000 0.040 0.000 1.044 72 I HN -0.100 nan 8.210 nan 0.000 0.408 73 K N 1.309 121.659 120.400 -0.083 0.000 2.057 73 K HA -0.220 4.100 4.320 0.001 0.000 0.207 73 K C 2.205 178.732 176.600 -0.121 0.000 1.049 73 K CA 1.594 57.833 56.287 -0.079 0.000 0.931 73 K CB -0.328 32.152 32.500 -0.033 0.000 0.714 73 K HN 0.231 nan 8.250 nan 0.000 0.440 74 R N -0.158 120.256 120.500 -0.144 0.000 2.073 74 R HA -0.085 4.255 4.340 0.001 0.000 0.234 74 R C 2.343 178.492 176.300 -0.251 0.000 1.134 74 R CA 1.609 57.612 56.100 -0.162 0.000 0.952 74 R CB -0.132 30.089 30.300 -0.130 0.000 0.850 74 R HN 0.086 nan 8.270 nan 0.000 0.433 75 M N 0.845 120.179 119.600 -0.443 0.000 2.108 75 M HA -0.148 4.332 4.480 0.001 0.000 0.261 75 M C 1.917 178.061 176.300 -0.260 0.000 1.066 75 M CA 1.598 56.624 55.300 -0.457 0.000 1.107 75 M CB -0.877 31.272 32.600 -0.752 0.000 1.356 75 M HN 0.096 nan 8.290 nan 0.000 0.406 76 E N 0.698 120.769 120.200 -0.216 0.000 2.077 76 E HA -0.150 4.200 4.350 0.001 0.000 0.193 76 E C 1.701 178.236 176.600 -0.109 0.000 0.989 76 E CA 1.100 57.417 56.400 -0.139 0.000 0.800 76 E CB -0.583 29.049 29.700 -0.112 0.000 0.746 76 E HN 0.449 nan 8.360 nan 0.000 0.452 77 D N 0.270 120.607 120.400 -0.105 0.000 2.117 77 D HA -0.103 4.538 4.640 0.001 0.000 0.197 77 D C 2.128 178.384 176.300 -0.073 0.000 0.987 77 D CA 0.707 54.661 54.000 -0.077 0.000 0.829 77 D CB -0.206 40.554 40.800 -0.067 0.000 0.961 77 D HN 0.212 nan 8.370 nan 0.000 0.460 78 I N -0.506 120.011 120.570 -0.089 0.000 2.202 78 I HA -0.075 4.096 4.170 0.001 0.000 0.242 78 I C 1.858 177.937 176.117 -0.065 0.000 1.091 78 I CA 1.424 62.680 61.300 -0.073 0.000 1.368 78 I CB -0.020 37.931 38.000 -0.083 0.000 1.058 78 I HN 0.204 nan 8.210 nan 0.000 0.410 79 G N 0.122 108.875 108.800 -0.078 0.000 2.273 79 G HA2 -0.118 3.842 3.960 0.001 0.000 0.162 79 G HA3 -0.118 3.842 3.960 0.001 0.000 0.162 79 G C 0.135 175.002 174.900 -0.056 0.000 1.006 79 G CA -0.632 44.431 45.100 -0.062 0.000 0.704 79 G HN 0.117 nan 8.290 nan 0.000 0.487 80 L N 1.434 122.611 121.223 -0.075 0.000 2.397 80 L HA 0.461 4.801 4.340 0.001 0.000 0.271 80 L C 0.891 177.714 176.870 -0.079 0.000 1.148 80 L CA -0.464 54.343 54.840 -0.056 0.000 0.825 80 L CB 1.157 43.170 42.059 -0.076 0.000 1.117 80 L HN 0.268 nan 8.230 nan 0.000 0.456 81 E N 1.827 122.017 120.200 -0.017 0.000 2.338 81 E HA 0.335 4.686 4.350 0.001 0.000 0.272 81 E C -0.743 175.812 176.600 -0.074 0.000 1.029 81 E CA -0.548 55.830 56.400 -0.036 0.000 0.872 81 E CB 1.093 30.804 29.700 0.018 0.000 1.015 81 E HN 0.634 nan 8.360 nan 0.000 0.417 82 A N 5.701 128.481 122.820 -0.066 0.000 2.322 82 A HA 0.374 4.694 4.320 0.001 0.000 0.327 82 A C -0.887 176.775 177.584 0.130 0.000 1.394 82 A CA -0.626 51.427 52.037 0.027 0.000 0.921 82 A CB 0.077 19.031 19.000 -0.077 0.000 1.153 82 A HN 0.504 nan 8.150 nan 0.000 0.523 83 L N 1.860 123.192 121.223 0.182 0.000 2.454 83 L HA 0.864 5.204 4.340 0.001 0.000 0.256 83 L C 1.060 178.097 176.870 0.278 0.000 1.136 83 L CA 0.975 55.910 54.840 0.158 0.000 0.804 83 L CB 0.662 42.767 42.059 0.077 0.000 1.181 83 L HN 1.194 nan 8.230 nan 0.000 0.469 84 G N 0.712 109.635 108.800 0.204 0.000 2.541 84 G HA2 -0.007 3.954 3.960 0.001 0.000 0.686 84 G HA3 -0.007 3.954 3.960 0.001 0.000 0.686 84 G C -0.969 173.971 174.900 0.066 0.000 1.286 84 G CA -0.625 44.634 45.100 0.264 0.000 0.894 84 G HN 0.573 nan 8.290 nan 0.000 0.575 85 M N 2.490 122.057 119.600 -0.056 0.000 2.341 85 M HA 0.288 4.769 4.480 0.001 0.000 0.336 85 M C 1.645 177.832 176.300 -0.190 0.000 1.489 85 M CA -0.249 54.855 55.300 -0.325 0.000 1.278 85 M CB -0.135 31.939 32.600 -0.876 0.000 1.657 85 M HN 0.580 nan 8.290 nan 0.000 0.455 86 D N 1.516 121.773 120.400 -0.237 0.000 2.312 86 D HA -0.119 4.522 4.640 0.001 0.000 0.211 86 D C -0.303 175.543 176.300 -0.758 0.000 0.964 86 D CA 0.308 54.057 54.000 -0.418 0.000 0.877 86 D CB -0.141 40.508 40.800 -0.251 0.000 0.924 86 D HN 0.531 nan 8.370 nan 0.000 0.515 87 D N 0.056 120.174 120.400 -0.471 0.000 2.441 87 D HA -0.001 4.640 4.640 0.001 0.000 0.221 87 D C 0.461 176.608 176.300 -0.256 0.000 1.156 87 D CA -0.686 53.089 54.000 -0.374 0.000 0.896 87 D CB 0.146 40.832 40.800 -0.190 0.000 1.028 87 D HN -0.132 nan 8.370 nan 0.000 0.509 88 F N 2.557 122.525 119.950 0.030 0.000 2.333 88 F HA -0.066 4.461 4.527 0.001 0.000 0.300 88 F C 2.225 178.049 175.800 0.040 0.000 1.083 88 F CA 0.651 58.714 58.000 0.105 0.000 1.395 88 F CB -0.335 38.769 39.000 0.173 0.000 1.056 88 F HN 0.324 nan 8.300 nan 0.000 0.529 89 K N 0.201 120.672 120.400 0.118 0.000 2.057 89 K HA -0.086 4.235 4.320 0.001 0.000 0.206 89 K C 2.086 178.713 176.600 0.046 0.000 1.050 89 K CA 1.072 57.384 56.287 0.041 0.000 0.935 89 K CB -0.371 32.125 32.500 -0.007 0.000 0.715 89 K HN 0.284 nan 8.250 nan 0.000 0.439 90 L N 0.384 121.624 121.223 0.029 0.000 2.093 90 L HA -0.135 4.206 4.340 0.001 0.000 0.208 90 L C 2.596 179.563 176.870 0.161 0.000 1.085 90 L CA 0.975 55.851 54.840 0.059 0.000 0.755 90 L CB -0.627 41.439 42.059 0.013 0.000 0.904 90 L HN 0.200 nan 8.230 nan 0.000 0.435 91 A N -0.373 122.535 122.820 0.147 0.000 1.902 91 A HA -0.290 4.031 4.320 0.001 0.000 0.217 91 A C 2.206 179.904 177.584 0.189 0.000 1.181 91 A CA 1.571 53.789 52.037 0.302 0.000 0.623 91 A CB -0.901 18.351 19.000 0.420 0.000 0.818 91 A HN 0.474 nan 8.150 nan 0.000 0.443 92 Y N 0.560 120.724 120.300 -0.227 0.000 2.145 92 Y HA -0.167 4.384 4.550 0.001 0.000 0.286 92 Y C 1.939 177.721 175.900 -0.197 0.000 1.145 92 Y CA 1.921 59.673 58.100 -0.581 0.000 1.148 92 Y CB -0.270 37.732 38.460 -0.765 0.000 0.981 92 Y HN 0.205 nan 8.280 nan 0.000 0.507 93 L N -0.869 120.346 121.223 -0.013 0.000 2.083 93 L HA -0.209 4.131 4.340 0.001 0.000 0.209 93 L C 2.792 179.680 176.870 0.029 0.000 1.083 93 L CA 1.554 56.387 54.840 -0.012 0.000 0.752 93 L CB -0.787 41.188 42.059 -0.139 0.000 0.899 93 L HN 0.255 nan 8.230 nan 0.000 0.433 94 S N -0.406 115.337 115.700 0.072 0.000 2.383 94 S HA -0.173 4.297 4.470 0.001 0.000 0.227 94 S C 1.573 176.172 174.600 -0.001 0.000 1.026 94 S CA 1.460 59.711 58.200 0.085 0.000 0.981 94 S CB -0.095 63.263 63.200 0.264 0.000 0.818 94 S HN 0.398 nan 8.310 nan 0.000 0.472 95 D N 0.619 121.002 120.400 -0.028 0.000 2.120 95 D HA -0.003 4.637 4.640 0.001 0.000 0.202 95 D C 2.091 178.262 176.300 -0.215 0.000 0.972 95 D CA 1.459 55.423 54.000 -0.060 0.000 0.837 95 D CB -0.989 39.831 40.800 0.033 0.000 0.989 95 D HN 0.379 nan 8.370 nan 0.000 0.469 96 T N -0.203 114.074 114.554 -0.462 0.000 2.788 96 T HA -0.152 4.199 4.350 0.001 0.000 0.268 96 T C 0.488 174.706 174.700 -0.804 0.000 1.044 96 T CA 0.944 62.626 62.100 -0.697 0.000 1.139 96 T CB -0.214 67.994 68.868 -1.101 0.000 0.867 96 T HN 0.185 nan 8.240 nan 0.000 0.454 97 Y N 2.647 122.781 120.300 -0.277 0.000 2.726 97 Y HA 0.306 4.857 4.550 0.001 0.000 0.367 97 Y C 0.516 176.088 175.900 -0.548 0.000 1.038 97 Y CA -1.651 56.133 58.100 -0.527 0.000 1.174 97 Y CB -0.326 37.922 38.460 -0.353 0.000 1.265 97 Y HN 0.168 nan 8.280 nan 0.000 0.622 98 N N 1.870 120.420 118.700 -0.251 0.000 3.254 98 N HA 0.068 4.808 4.740 0.001 0.000 0.308 98 N C -1.006 174.575 175.510 0.119 0.000 1.281 98 N CA 0.088 53.110 53.050 -0.047 0.000 1.212 98 N CB -0.687 37.819 38.487 0.032 0.000 1.478 98 N HN 0.585 nan 8.380 nan 0.000 0.548 99 Y N -3.340 117.010 120.300 0.085 0.000 2.732 99 Y HA 0.344 4.894 4.550 0.001 0.000 0.342 99 Y C -0.659 175.300 175.900 0.100 0.000 1.203 99 Y CA -1.474 56.673 58.100 0.078 0.000 1.092 99 Y CB 0.515 39.023 38.460 0.080 0.000 1.345 99 Y HN 0.087 nan 8.280 nan 0.000 0.458 100 E N 2.455 122.820 120.200 0.276 0.000 2.351 100 E HA 0.245 4.596 4.350 0.001 0.000 0.266 100 E C -0.785 175.984 176.600 0.281 0.000 1.031 100 E CA -0.208 56.309 56.400 0.194 0.000 0.911 100 E CB 0.419 30.223 29.700 0.173 0.000 0.986 100 E HN 0.585 nan 8.360 nan 0.000 0.446 101 I N 5.280 125.958 120.570 0.179 0.000 2.471 101 I HA 0.042 4.212 4.170 0.001 0.000 0.286 101 I C 0.377 176.547 176.117 0.090 0.000 1.079 101 I CA 0.276 61.674 61.300 0.163 0.000 1.398 101 I CB 0.549 38.562 38.000 0.021 0.000 1.403 101 I HN 0.327 nan 8.210 nan 0.000 0.530 102 K N 7.455 127.880 120.400 0.042 0.000 2.389 102 K HA 0.319 4.640 4.320 0.001 0.000 0.261 102 K C -1.029 175.340 176.600 -0.385 0.000 1.014 102 K CA -0.607 55.600 56.287 -0.132 0.000 0.920 102 K CB 1.082 33.543 32.500 -0.065 0.000 1.149 102 K HN 0.415 nan 8.250 nan 0.000 0.444 103 Y N -0.708 119.147 120.300 -0.741 0.000 2.403 103 Y HA 0.508 5.059 4.550 0.001 0.000 0.323 103 Y C -0.252 175.172 175.900 -0.792 0.000 1.226 103 Y CA -1.567 55.692 58.100 -1.402 0.000 1.235 103 Y CB 0.888 38.349 38.460 -1.666 0.000 1.248 103 Y HN 0.324 nan 8.280 nan 0.000 0.489 104 D N 0.907 120.893 120.400 -0.689 0.000 2.438 104 D HA 0.092 4.733 4.640 0.001 0.000 0.257 104 D C 0.560 176.835 176.300 -0.041 0.000 1.148 104 D CA -0.623 53.210 54.000 -0.279 0.000 0.902 104 D CB -0.212 40.553 40.800 -0.059 0.000 1.062 104 D HN 0.829 nan 8.370 nan 0.000 0.518 105 H N 1.097 120.223 119.070 0.093 0.000 2.492 105 H HA -0.174 4.382 4.556 0.001 0.000 0.296 105 H C 1.468 176.890 175.328 0.158 0.000 1.095 105 H CA 2.087 58.250 56.048 0.192 0.000 1.281 105 H CB -0.825 29.060 29.762 0.205 0.000 1.374 105 H HN 0.280 nan 8.280 nan 0.000 0.545 106 T N -2.337 112.231 114.554 0.023 0.000 3.051 106 T HA -0.019 4.332 4.350 0.001 0.000 0.269 106 T C 1.459 176.246 174.700 0.144 0.000 1.127 106 T CA 0.921 63.110 62.100 0.148 0.000 1.107 106 T CB -0.095 68.779 68.868 0.010 0.000 0.898 106 T HN 0.509 nan 8.240 nan 0.000 0.517 107 K N 0.129 120.632 120.400 0.172 0.000 2.358 107 K HA 0.368 4.689 4.320 0.001 0.000 0.197 107 K C 0.004 176.708 176.600 0.174 0.000 1.025 107 K CA -0.088 56.297 56.287 0.163 0.000 1.104 107 K CB 0.417 33.033 32.500 0.193 0.000 0.855 107 K HN 0.436 nan 8.250 nan 0.000 0.531 108 I N 2.243 122.953 120.570 0.232 0.000 2.301 108 I HA 0.133 4.304 4.170 0.001 0.000 0.292 108 I C 0.228 176.423 176.117 0.130 0.000 1.046 108 I CA -0.571 60.853 61.300 0.207 0.000 1.282 108 I CB 0.814 38.980 38.000 0.275 0.000 1.409 108 I HN -0.046 nan 8.210 nan 0.000 0.484 109 R N 6.441 126.976 120.500 0.058 0.000 2.357 109 R HA 0.272 4.612 4.340 0.001 0.000 0.330 109 R C -1.131 175.172 176.300 0.004 0.000 1.102 109 R CA -0.226 55.878 56.100 0.007 0.000 0.974 109 R CB 0.299 30.557 30.300 -0.070 0.000 1.002 109 R HN 0.447 nan 8.270 nan 0.000 0.463 110 V N 4.540 124.483 119.914 0.048 0.000 2.348 110 V HA 0.383 4.504 4.120 0.001 0.000 0.270 110 V C 0.265 176.392 176.094 0.055 0.000 1.037 110 V CA -0.666 61.673 62.300 0.065 0.000 0.872 110 V CB 1.156 33.055 31.823 0.127 0.000 1.002 110 V HN 0.828 nan 8.190 nan 0.000 0.464 111 A N 4.439 127.247 122.820 -0.020 0.000 2.292 111 A HA 0.663 4.984 4.320 0.001 0.000 0.319 111 A C -0.135 177.459 177.584 0.017 0.000 1.206 111 A CA -0.575 51.402 52.037 -0.099 0.000 0.835 111 A CB 0.375 19.154 19.000 -0.369 0.000 1.164 111 A HN 0.859 nan 8.150 nan 0.000 0.505 112 N N 1.557 120.337 118.700 0.134 0.000 2.483 112 N HA 0.634 5.374 4.740 0.001 0.000 0.267 112 N C -0.957 174.769 175.510 0.359 0.000 0.998 112 N CA -0.448 52.767 53.050 0.275 0.000 0.918 112 N CB 0.766 39.413 38.487 0.266 0.000 1.215 112 N HN 0.589 nan 8.380 nan 0.000 0.500 113 F N 1.385 121.407 119.950 0.120 0.000 2.664 113 F HA 0.763 5.290 4.527 0.001 0.000 0.329 113 F C -1.356 174.568 175.800 0.207 0.000 1.090 113 F CA -1.662 56.441 58.000 0.171 0.000 0.978 113 F CB 1.279 40.382 39.000 0.172 0.000 1.378 113 F HN 0.303 nan 8.300 nan 0.000 0.495 114 D N 0.896 121.251 120.400 -0.075 0.000 2.947 114 D HA 0.535 5.175 4.640 0.001 0.000 0.224 114 D C -1.831 174.349 176.300 -0.201 0.000 1.230 114 D CA -0.311 53.564 54.000 -0.209 0.000 0.871 114 D CB 1.748 42.535 40.800 -0.021 0.000 1.671 114 D HN 0.588 nan 8.370 nan 0.000 0.507 115 I N 2.894 123.340 120.570 -0.206 0.000 2.406 115 I HA 0.351 4.521 4.170 0.001 0.000 0.290 115 I C -0.248 175.879 176.117 0.016 0.000 0.999 115 I CA -0.720 60.521 61.300 -0.097 0.000 1.124 115 I CB 1.533 39.467 38.000 -0.110 0.000 1.289 115 I HN 0.409 nan 8.210 nan 0.000 0.441 116 E N 5.446 125.635 120.200 -0.018 0.000 2.179 116 E HA 0.592 4.942 4.350 0.001 0.000 0.275 116 E C -0.994 175.626 176.600 0.033 0.000 0.945 116 E CA -0.658 55.741 56.400 -0.003 0.000 0.792 116 E CB 3.091 32.762 29.700 -0.049 0.000 1.125 116 E HN 0.228 nan 8.360 nan 0.000 0.397 117 V N 2.562 122.478 119.914 0.004 0.000 2.524 117 V HA 0.233 4.353 4.120 0.001 0.000 0.297 117 V C -0.129 175.933 176.094 -0.052 0.000 1.035 117 V CA -0.749 61.530 62.300 -0.034 0.000 0.867 117 V CB 2.130 33.816 31.823 -0.228 0.000 1.004 117 V HN 0.590 nan 8.190 nan 0.000 0.426 118 T N 4.053 118.598 114.554 -0.015 0.000 2.889 118 T HA 0.621 4.972 4.350 0.001 0.000 0.291 118 T C 0.079 174.559 174.700 -0.366 0.000 0.995 118 T CA -0.225 61.777 62.100 -0.162 0.000 1.092 118 T CB 1.180 69.980 68.868 -0.113 0.000 0.954 118 T HN 0.957 nan 8.240 nan 0.000 0.506 119 S N 2.370 117.728 115.700 -0.571 0.000 2.550 119 S HA 0.504 4.975 4.470 0.001 0.000 0.270 119 S C -2.359 171.873 174.600 -0.613 0.000 1.145 119 S CA -1.328 56.373 58.200 -0.832 0.000 0.852 119 S CB 1.972 64.648 63.200 -0.873 0.000 1.119 119 S HN 0.358 nan 8.310 nan 0.000 0.465 120 P HA -0.154 nan 4.420 nan 0.000 0.216 120 P C 0.684 177.903 177.300 -0.136 0.000 1.153 120 P CA 1.932 64.880 63.100 -0.253 0.000 0.858 120 P CB -0.210 31.437 31.700 -0.088 0.000 0.789 121 D N -1.635 118.708 120.400 -0.094 0.000 2.305 121 D HA 0.064 4.704 4.640 0.001 0.000 0.206 121 D C 1.487 177.791 176.300 0.007 0.000 0.974 121 D CA 0.976 54.985 54.000 0.016 0.000 0.871 121 D CB -0.989 39.867 40.800 0.092 0.000 0.947 121 D HN 0.300 nan 8.370 nan 0.000 0.516 122 G N -0.273 108.423 108.800 -0.174 0.000 2.132 122 G HA2 -0.219 3.742 3.960 0.001 0.000 0.228 122 G HA3 -0.219 3.742 3.960 0.001 0.000 0.228 122 G C -0.114 174.298 174.900 -0.813 0.000 1.000 122 G CA 0.067 44.911 45.100 -0.426 0.000 0.693 122 G HN 0.317 nan 8.290 nan 0.000 0.515 123 F N 0.781 120.688 119.950 -0.072 0.000 2.753 123 F HA 0.299 4.826 4.527 0.001 0.000 0.379 123 F C -1.874 173.966 175.800 0.068 0.000 1.419 123 F CA -1.276 56.707 58.000 -0.029 0.000 1.113 123 F CB 1.334 40.322 39.000 -0.021 0.000 2.071 123 F HN 0.027 nan 8.300 nan 0.000 0.563 124 P HA 0.019 nan 4.420 nan 0.000 0.268 124 P C -0.242 177.351 177.300 0.488 0.000 1.205 124 P CA 0.068 63.384 63.100 0.361 0.000 0.771 124 P CB 1.353 33.295 31.700 0.403 0.000 0.858 125 E N 4.734 125.170 120.200 0.394 0.000 2.180 125 E HA 0.151 4.502 4.350 0.001 0.000 0.283 125 E C -1.863 174.889 176.600 0.254 0.000 1.061 125 E CA -2.408 54.172 56.400 0.300 0.000 0.861 125 E CB 0.362 30.175 29.700 0.190 0.000 1.056 125 E HN 0.221 nan 8.360 nan 0.000 0.407 126 P HA -0.205 nan 4.420 nan 0.000 0.216 126 P C 0.980 178.202 177.300 -0.130 0.000 1.153 126 P CA 1.847 64.964 63.100 0.029 0.000 0.858 126 P CB 0.085 31.810 31.700 0.042 0.000 0.789 127 S N -1.353 114.331 115.700 -0.026 0.000 2.442 127 S HA -0.164 4.306 4.470 0.001 0.000 0.236 127 S C 1.790 176.345 174.600 -0.075 0.000 1.007 127 S CA 0.830 59.008 58.200 -0.037 0.000 0.965 127 S CB -0.874 62.331 63.200 0.008 0.000 0.773 127 S HN 0.176 nan 8.310 nan 0.000 0.504 128 Q N 1.019 120.770 119.800 -0.081 0.000 2.226 128 Q HA 0.389 4.729 4.340 0.001 0.000 0.199 128 Q C 1.320 177.200 176.000 -0.200 0.000 0.945 128 Q CA 0.727 56.476 55.803 -0.089 0.000 0.861 128 Q CB -0.703 28.028 28.738 -0.010 0.000 0.953 128 Q HN 0.756 nan 8.270 nan 0.000 0.490 129 A N 1.757 124.360 122.820 -0.362 0.000 2.610 129 A HA -0.272 4.049 4.320 0.001 0.000 0.299 129 A C 0.932 178.387 177.584 -0.215 0.000 1.487 129 A CA 1.236 52.846 52.037 -0.712 0.000 0.743 129 A CB -1.901 16.591 19.000 -0.846 0.000 1.070 129 A HN 0.389 nan 8.150 nan 0.000 0.439 130 K N -0.937 119.415 120.400 -0.080 0.000 2.366 130 K HA 0.013 4.334 4.320 0.001 0.000 0.198 130 K C 0.421 176.842 176.600 -0.298 0.000 1.044 130 K CA 1.205 57.358 56.287 -0.223 0.000 0.973 130 K CB 0.038 32.331 32.500 -0.346 0.000 0.767 130 K HN 0.917 nan 8.250 nan 0.000 0.475 131 H N -0.103 119.146 119.070 0.299 0.000 2.573 131 H HA 0.245 4.801 4.556 0.001 0.000 0.351 131 H C -2.462 173.057 175.328 0.319 0.000 1.163 131 H CA -2.533 53.714 56.048 0.331 0.000 1.205 131 H CB 0.764 30.750 29.762 0.374 0.000 1.605 131 H HN -0.117 nan 8.280 nan 0.000 0.525 132 P HA 0.073 nan 4.420 nan 0.000 0.271 132 P C -0.279 177.153 177.300 0.220 0.000 1.218 132 P CA -0.009 63.229 63.100 0.229 0.000 0.780 132 P CB 1.164 32.947 31.700 0.138 0.000 0.901 133 I N 2.888 123.559 120.570 0.168 0.000 2.396 133 I HA 0.019 4.189 4.170 0.001 0.000 0.289 133 I C 0.997 177.176 176.117 0.104 0.000 1.056 133 I CA 0.236 61.595 61.300 0.097 0.000 1.365 133 I CB 0.477 38.514 38.000 0.063 0.000 1.407 133 I HN 0.393 nan 8.210 nan 0.000 0.509 134 D N 4.494 124.976 120.400 0.136 0.000 2.398 134 D HA 0.384 5.024 4.640 0.001 0.000 0.210 134 D C -0.045 176.396 176.300 0.235 0.000 1.094 134 D CA -0.198 53.914 54.000 0.188 0.000 0.839 134 D CB 0.766 41.693 40.800 0.212 0.000 0.963 134 D HN 0.405 nan 8.370 nan 0.000 0.506 135 A N 0.332 123.247 122.820 0.159 0.000 2.547 135 A HA 0.577 4.898 4.320 0.001 0.000 0.298 135 A C -1.690 175.921 177.584 0.045 0.000 1.062 135 A CA -0.737 51.379 52.037 0.131 0.000 0.748 135 A CB 0.753 19.810 19.000 0.095 0.000 1.288 135 A HN 0.160 nan 8.150 nan 0.000 0.396 136 I N 2.104 122.730 120.570 0.094 0.000 2.478 136 I HA 0.404 4.575 4.170 0.001 0.000 0.287 136 I C -0.496 175.785 176.117 0.275 0.000 1.042 136 I CA -0.356 60.981 61.300 0.061 0.000 1.067 136 I CB 2.579 40.432 38.000 -0.246 0.000 1.233 136 I HN 0.585 nan 8.210 nan 0.000 0.431 137 T N 3.920 118.630 114.554 0.260 0.000 2.772 137 T HA 0.300 4.651 4.350 0.001 0.000 0.288 137 T C -0.764 174.270 174.700 0.556 0.000 0.994 137 T CA -0.358 61.966 62.100 0.373 0.000 0.951 137 T CB 0.408 69.420 68.868 0.240 0.000 0.933 137 T HN 0.477 nan 8.240 nan 0.000 0.447 138 H N 2.610 122.034 119.070 0.589 0.000 2.762 138 H HA 0.421 4.977 4.556 0.001 0.000 0.310 138 H C -1.397 174.281 175.328 0.583 0.000 1.004 138 H CA -0.871 55.576 56.048 0.665 0.000 1.267 138 H CB 0.466 30.717 29.762 0.814 0.000 1.437 138 H HN 0.672 nan 8.280 nan 0.000 0.498 139 Y N 4.992 125.491 120.300 0.332 0.000 2.327 139 Y HA 0.186 4.737 4.550 0.001 0.000 0.336 139 Y C -0.610 175.392 175.900 0.170 0.000 1.035 139 Y CA -0.517 57.627 58.100 0.074 0.000 1.165 139 Y CB 0.744 39.002 38.460 -0.337 0.000 1.181 139 Y HN 0.629 nan 8.280 nan 0.000 0.494 140 D N 3.899 124.064 120.400 -0.393 0.000 2.303 140 D HA 0.077 4.717 4.640 0.001 0.000 0.236 140 D C 0.658 176.610 176.300 -0.579 0.000 1.068 140 D CA 0.096 53.967 54.000 -0.217 0.000 0.830 140 D CB 1.804 42.670 40.800 0.110 0.000 1.109 140 D HN 0.784 nan 8.370 nan 0.000 0.496 141 S N 3.669 119.239 115.700 -0.217 0.000 2.402 141 S HA -0.126 4.344 4.470 0.001 0.000 0.229 141 S C 2.042 176.644 174.600 0.003 0.000 1.021 141 S CA 0.448 58.642 58.200 -0.009 0.000 0.974 141 S CB -0.181 63.116 63.200 0.163 0.000 0.800 141 S HN 0.642 nan 8.310 nan 0.000 0.484 142 I N 1.943 122.505 120.570 -0.015 0.000 2.286 142 I HA -0.091 4.080 4.170 0.001 0.000 0.245 142 I C 1.553 177.677 176.117 0.012 0.000 1.104 142 I CA 1.353 62.663 61.300 0.017 0.000 1.397 142 I CB -0.311 37.690 38.000 0.002 0.000 1.072 142 I HN 0.223 nan 8.210 nan 0.000 0.417 143 D N 0.072 120.467 120.400 -0.008 0.000 2.347 143 D HA -0.089 4.552 4.640 0.001 0.000 0.213 143 D C 0.475 176.766 176.300 -0.015 0.000 0.985 143 D CA 0.601 54.620 54.000 0.032 0.000 0.879 143 D CB -0.402 40.485 40.800 0.145 0.000 0.919 143 D HN 0.216 nan 8.370 nan 0.000 0.526 144 D N 0.517 120.845 120.400 -0.119 0.000 2.697 144 D HA -0.204 4.437 4.640 0.001 0.000 0.235 144 D C -0.833 175.435 176.300 -0.053 0.000 1.167 144 D CA 0.618 54.577 54.000 -0.069 0.000 0.656 144 D CB -0.322 40.554 40.800 0.127 0.000 1.025 144 D HN -0.000 nan 8.370 nan 0.000 0.419 145 R N 0.341 120.659 120.500 -0.303 0.000 2.725 145 R HA 0.475 4.815 4.340 0.001 0.000 0.277 145 R C -0.720 175.429 176.300 -0.251 0.000 0.987 145 R CA -0.702 55.291 56.100 -0.179 0.000 0.901 145 R CB 0.756 30.866 30.300 -0.316 0.000 1.207 145 R HN 0.032 nan 8.270 nan 0.000 0.463 146 F N 2.368 122.318 119.950 -0.001 0.000 2.334 146 F HA 0.359 4.887 4.527 0.001 0.000 0.367 146 F C 0.016 175.794 175.800 -0.038 0.000 1.115 146 F CA -0.549 57.548 58.000 0.162 0.000 1.116 146 F CB 0.539 39.655 39.000 0.192 0.000 1.230 146 F HN 0.277 nan 8.300 nan 0.000 0.484 147 Y N 2.378 122.871 120.300 0.321 0.000 2.350 147 Y HA 0.493 5.044 4.550 0.001 0.000 0.340 147 Y C -0.027 175.959 175.900 0.144 0.000 1.006 147 Y CA -0.804 57.357 58.100 0.102 0.000 1.166 147 Y CB 1.007 39.425 38.460 -0.071 0.000 1.168 147 Y HN 0.184 nan 8.280 nan 0.000 0.502 148 V N 5.622 125.561 119.914 0.042 0.000 2.378 148 V HA 0.327 4.448 4.120 0.001 0.000 0.288 148 V C -0.845 175.178 176.094 -0.118 0.000 1.016 148 V CA -0.999 61.349 62.300 0.080 0.000 0.840 148 V CB 0.496 32.351 31.823 0.055 0.000 0.994 148 V HN 0.437 nan 8.190 nan 0.000 0.431 149 F N 2.879 122.892 119.950 0.105 0.000 2.388 149 F HA 0.544 5.071 4.527 0.001 0.000 0.358 149 F C 0.157 176.040 175.800 0.138 0.000 1.122 149 F CA -0.892 57.202 58.000 0.157 0.000 1.056 149 F CB 1.278 40.305 39.000 0.046 0.000 1.155 149 F HN 0.395 nan 8.300 nan 0.000 0.461 150 D N 3.418 123.998 120.400 0.301 0.000 2.391 150 D HA 0.336 4.976 4.640 0.001 0.000 0.245 150 D C -1.368 175.142 176.300 0.350 0.000 1.069 150 D CA -0.539 53.648 54.000 0.312 0.000 0.831 150 D CB 1.633 42.640 40.800 0.345 0.000 1.204 150 D HN 0.369 nan 8.370 nan 0.000 0.503 151 L N 5.038 126.445 121.223 0.307 0.000 2.265 151 L HA 0.322 4.663 4.340 0.001 0.000 0.288 151 L C 0.245 177.225 176.870 0.182 0.000 1.058 151 L CA 0.020 55.006 54.840 0.244 0.000 0.809 151 L CB 0.755 42.923 42.059 0.182 0.000 1.179 151 L HN 0.605 nan 8.230 nan 0.000 0.429 152 L N 3.378 124.687 121.223 0.142 0.000 2.202 152 L HA 0.185 4.526 4.340 0.001 0.000 0.205 152 L C 0.249 177.127 176.870 0.014 0.000 1.083 152 L CA 0.239 55.110 54.840 0.052 0.000 0.790 152 L CB -0.242 41.856 42.059 0.066 0.000 0.942 152 L HN 0.614 nan 8.230 nan 0.000 0.452 153 N N 0.345 119.071 118.700 0.044 0.000 2.372 153 N HA 0.360 5.101 4.740 0.001 0.000 0.291 153 N C -0.865 174.656 175.510 0.019 0.000 1.024 153 N CA 0.106 53.168 53.050 0.020 0.000 0.873 153 N CB 2.136 40.637 38.487 0.023 0.000 1.206 153 N HN -0.100 nan 8.380 nan 0.000 0.486 154 S N 1.350 117.047 115.700 -0.005 0.000 2.550 154 S HA 0.461 4.932 4.470 0.001 0.000 0.270 154 S C -2.203 172.340 174.600 -0.094 0.000 1.145 154 S CA -1.203 56.979 58.200 -0.030 0.000 0.852 154 S CB 1.706 64.924 63.200 0.030 0.000 1.119 154 S HN 0.228 nan 8.310 nan 0.000 0.465 155 P HA -0.068 nan 4.420 nan 0.000 0.221 155 P C 0.374 177.511 177.300 -0.272 0.000 1.145 155 P CA 1.148 64.069 63.100 -0.298 0.000 0.795 155 P CB -0.178 31.245 31.700 -0.461 0.000 0.775 156 Y N 0.168 120.478 120.300 0.016 0.000 2.470 156 Y HA 0.493 5.044 4.550 0.001 0.000 0.284 156 Y C 1.516 177.401 175.900 -0.025 0.000 1.188 156 Y CA -0.015 58.084 58.100 -0.000 0.000 1.269 156 Y CB -0.208 38.249 38.460 -0.004 0.000 1.094 156 Y HN -0.007 nan 8.280 nan 0.000 0.518 157 G N 0.374 109.214 108.800 0.067 0.000 2.397 157 G HA2 -0.069 3.892 3.960 0.001 0.000 0.453 157 G HA3 -0.069 3.892 3.960 0.001 0.000 0.453 157 G C -1.341 173.551 174.900 -0.014 0.000 1.579 157 G CA -1.251 43.862 45.100 0.022 0.000 0.906 157 G HN 0.200 nan 8.290 nan 0.000 0.675 158 N N -0.481 118.204 118.700 -0.026 0.000 2.456 158 N HA 0.739 5.480 4.740 0.001 0.000 0.288 158 N C 0.300 175.765 175.510 -0.075 0.000 1.059 158 N CA -0.509 52.517 53.050 -0.040 0.000 0.946 158 N CB 2.620 41.093 38.487 -0.022 0.000 1.150 158 N HN 0.931 nan 8.380 nan 0.000 0.479 159 V N -1.403 118.435 119.914 -0.127 0.000 3.158 159 V HA 0.591 4.712 4.120 0.001 0.000 0.311 159 V C -0.539 175.478 176.094 -0.127 0.000 1.181 159 V CA -0.983 61.199 62.300 -0.196 0.000 1.054 159 V CB 1.908 33.415 31.823 -0.527 0.000 1.085 159 V HN 0.638 nan 8.190 nan 0.000 0.446 160 E N 0.261 120.422 120.200 -0.065 0.000 2.280 160 E HA 0.433 4.784 4.350 0.001 0.000 0.261 160 E C -0.283 176.407 176.600 0.150 0.000 1.088 160 E CA -0.660 55.764 56.400 0.039 0.000 0.915 160 E CB 0.719 30.451 29.700 0.052 0.000 1.141 160 E HN 0.796 nan 8.360 nan 0.000 0.433 161 E N 0.208 120.530 120.200 0.204 0.000 2.418 161 E HA 0.015 4.366 4.350 0.001 0.000 0.261 161 E C -0.704 176.092 176.600 0.328 0.000 1.070 161 E CA -0.241 56.375 56.400 0.360 0.000 0.931 161 E CB 0.421 30.313 29.700 0.321 0.000 0.954 161 E HN 0.483 nan 8.360 nan 0.000 0.439 162 W N 2.493 123.842 121.300 0.082 0.000 2.190 162 W HA 0.061 4.722 4.660 0.001 0.000 0.330 162 W C -0.080 176.247 176.519 -0.320 0.000 1.299 162 W CA -0.275 56.941 57.345 -0.215 0.000 1.215 162 W CB 0.833 30.006 29.460 -0.479 0.000 1.147 162 W HN 0.213 nan 8.180 nan 0.000 0.563 163 S N 7.282 122.473 115.700 -0.848 0.000 2.420 163 S HA 0.183 4.653 4.470 0.001 0.000 0.313 163 S C 0.738 174.491 174.600 -1.412 0.000 1.079 163 S CA -0.737 56.941 58.200 -0.870 0.000 1.104 163 S CB 0.307 63.232 63.200 -0.458 0.000 0.969 163 S HN 0.690 nan 8.310 nan 0.000 0.471 164 I N 4.245 123.986 120.570 -1.381 0.000 3.001 164 I HA -0.049 4.121 4.170 0.001 0.000 0.268 164 I C 1.773 177.535 176.117 -0.591 0.000 1.267 164 I CA 0.946 61.505 61.300 -1.236 0.000 1.472 164 I CB 0.040 37.593 38.000 -0.744 0.000 1.089 164 I HN 0.717 nan 8.210 nan 0.000 0.468 165 E N 0.839 120.763 120.200 -0.460 0.000 2.122 165 E HA -0.125 4.226 4.350 0.001 0.000 0.190 165 E C 2.123 178.578 176.600 -0.242 0.000 0.977 165 E CA 0.987 57.222 56.400 -0.275 0.000 0.820 165 E CB -0.438 29.137 29.700 -0.207 0.000 0.770 165 E HN 0.524 nan 8.360 nan 0.000 0.462 166 I N 1.811 122.205 120.570 -0.292 0.000 2.439 166 I HA -0.127 4.044 4.170 0.001 0.000 0.251 166 I C 2.560 178.574 176.117 -0.172 0.000 1.139 166 I CA 0.790 61.966 61.300 -0.207 0.000 1.438 166 I CB -0.346 37.532 38.000 -0.203 0.000 1.085 166 I HN 0.023 nan 8.210 nan 0.000 0.427 167 A N 1.036 123.712 122.820 -0.241 0.000 1.908 167 A HA -0.202 4.119 4.320 0.001 0.000 0.218 167 A C 2.537 180.099 177.584 -0.036 0.000 1.181 167 A CA 2.060 54.049 52.037 -0.080 0.000 0.627 167 A CB -0.700 18.293 19.000 -0.011 0.000 0.818 167 A HN 0.432 nan 8.150 nan 0.000 0.445 168 A N -0.266 122.506 122.820 -0.080 0.000 1.897 168 A HA 0.052 4.373 4.320 0.001 0.000 0.215 168 A C 1.269 178.829 177.584 -0.041 0.000 1.181 168 A CA 0.769 52.774 52.037 -0.055 0.000 0.620 168 A CB -0.310 18.647 19.000 -0.071 0.000 0.821 168 A HN 0.529 nan 8.150 nan 0.000 0.443 169 K N 0.623 120.991 120.400 -0.053 0.000 2.559 169 K HA 0.085 4.406 4.320 0.001 0.000 0.279 169 K C -0.142 176.448 176.600 -0.017 0.000 0.967 169 K CA -0.199 56.065 56.287 -0.038 0.000 1.000 169 K CB 0.193 32.664 32.500 -0.048 0.000 0.890 169 K HN 0.189 nan 8.250 nan 0.000 0.501 170 L N 2.706 123.922 121.223 -0.012 0.000 2.474 170 L HA -0.067 4.273 4.340 0.001 0.000 0.259 170 L C 1.967 178.842 176.870 0.007 0.000 1.232 170 L CA 0.444 55.284 54.840 0.000 0.000 0.821 170 L CB 0.235 42.292 42.059 -0.003 0.000 1.108 170 L HN 0.690 nan 8.230 nan 0.000 0.495 171 Q N 0.909 120.720 119.800 0.018 0.000 2.045 171 Q HA -0.207 4.133 4.340 0.001 0.000 0.206 171 Q C 1.682 177.690 176.000 0.013 0.000 0.991 171 Q CA 1.813 57.631 55.803 0.026 0.000 0.851 171 Q CB -0.132 28.625 28.738 0.032 0.000 0.911 171 Q HN 0.613 nan 8.270 nan 0.000 0.418 172 E N 0.648 120.852 120.200 0.006 0.000 2.153 172 E HA -0.199 4.152 4.350 0.001 0.000 0.194 172 E C 1.463 178.060 176.600 -0.004 0.000 0.988 172 E CA 0.983 57.384 56.400 0.001 0.000 0.811 172 E CB -0.333 29.366 29.700 -0.001 0.000 0.746 172 E HN 0.273 nan 8.360 nan 0.000 0.466 173 Q N 0.188 119.984 119.800 -0.008 0.000 2.466 173 Q HA 0.205 4.546 4.340 0.001 0.000 0.210 173 Q C 0.792 176.781 176.000 -0.019 0.000 0.961 173 Q CA 0.798 56.592 55.803 -0.016 0.000 0.953 173 Q CB 0.014 28.739 28.738 -0.021 0.000 1.011 173 Q HN 0.528 nan 8.270 nan 0.000 0.516 174 G N -0.845 107.949 108.800 -0.011 0.000 2.198 174 G HA2 -0.199 3.762 3.960 0.001 0.000 0.257 174 G HA3 -0.199 3.762 3.960 0.001 0.000 0.257 174 G C 0.347 175.236 174.900 -0.020 0.000 1.042 174 G CA -0.059 45.034 45.100 -0.012 0.000 0.791 174 G HN 0.582 nan 8.290 nan 0.000 0.502 175 G N -1.449 107.344 108.800 -0.012 0.000 2.613 175 G HA2 0.590 4.550 3.960 0.001 0.000 0.303 175 G HA3 0.590 4.550 3.960 0.001 0.000 0.303 175 G C 0.303 175.214 174.900 0.018 0.000 1.312 175 G CA 0.259 45.350 45.100 -0.016 0.000 1.036 175 G HN 0.080 nan 8.290 nan 0.000 0.513 176 D N -0.720 119.702 120.400 0.037 0.000 2.449 176 D HA 0.080 4.720 4.640 0.001 0.000 0.210 176 D C 0.023 176.413 176.300 0.150 0.000 1.094 176 D CA 0.118 54.189 54.000 0.118 0.000 0.846 176 D CB 0.686 41.554 40.800 0.113 0.000 1.003 176 D HN 0.636 nan 8.370 nan 0.000 0.504 177 E N 0.696 120.939 120.200 0.072 0.000 2.287 177 E HA -0.139 4.212 4.350 0.001 0.000 0.229 177 E C -0.654 175.971 176.600 0.042 0.000 1.194 177 E CA -0.127 56.301 56.400 0.046 0.000 0.704 177 E CB -1.207 28.520 29.700 0.046 0.000 1.216 177 E HN 0.049 nan 8.360 nan 0.000 0.381 178 V N 1.452 121.386 119.914 0.032 0.000 2.470 178 V HA 0.113 4.233 4.120 0.001 0.000 0.276 178 V C -1.628 174.427 176.094 -0.066 0.000 1.040 178 V CA -1.112 61.184 62.300 -0.006 0.000 1.008 178 V CB 0.628 32.465 31.823 0.023 0.000 0.990 178 V HN 0.170 nan 8.190 nan 0.000 0.477 179 P HA -0.068 nan 4.420 nan 0.000 0.261 179 P C 0.993 178.211 177.300 -0.137 0.000 1.158 179 P CA 0.574 63.601 63.100 -0.120 0.000 0.758 179 P CB 0.423 32.007 31.700 -0.193 0.000 0.763 180 S N 3.112 118.767 115.700 -0.076 0.000 2.399 180 S HA -0.215 4.256 4.470 0.001 0.000 0.231 180 S C 1.497 176.057 174.600 -0.068 0.000 1.022 180 S CA 1.136 59.299 58.200 -0.062 0.000 0.983 180 S CB -0.707 62.473 63.200 -0.034 0.000 0.803 180 S HN 0.618 nan 8.310 nan 0.000 0.480 181 E N 2.650 122.805 120.200 -0.075 0.000 2.153 181 E HA -0.157 4.194 4.350 0.001 0.000 0.194 181 E C 2.155 178.705 176.600 -0.083 0.000 0.988 181 E CA 1.409 57.779 56.400 -0.050 0.000 0.811 181 E CB -0.668 29.032 29.700 -0.000 0.000 0.746 181 E HN 0.893 nan 8.360 nan 0.000 0.466 182 I N -2.379 118.057 120.570 -0.225 0.000 3.860 182 I HA 0.073 4.244 4.170 0.001 0.000 0.319 182 I C 1.912 177.936 176.117 -0.155 0.000 1.279 182 I CA -0.281 60.880 61.300 -0.232 0.000 1.220 182 I CB -0.031 37.589 38.000 -0.634 0.000 1.027 182 I HN -0.214 nan 8.210 nan 0.000 0.428 183 I N 2.802 123.299 120.570 -0.121 0.000 2.194 183 I HA -0.275 3.896 4.170 0.001 0.000 0.246 183 I C 1.759 177.874 176.117 -0.004 0.000 1.093 183 I CA 1.788 63.055 61.300 -0.055 0.000 1.355 183 I CB -0.976 36.992 38.000 -0.052 0.000 1.046 183 I HN 0.419 nan 8.210 nan 0.000 0.413 184 D N 0.399 120.802 120.400 0.004 0.000 2.349 184 D HA -0.057 4.584 4.640 0.001 0.000 0.224 184 D C 1.427 177.762 176.300 0.058 0.000 1.029 184 D CA 0.404 54.421 54.000 0.028 0.000 0.879 184 D CB 0.167 40.981 40.800 0.022 0.000 0.906 184 D HN 0.424 nan 8.370 nan 0.000 0.528 185 K N 0.416 120.870 120.400 0.089 0.000 2.387 185 K HA 0.233 4.554 4.320 0.001 0.000 0.198 185 K C 0.493 177.210 176.600 0.194 0.000 1.022 185 K CA -0.010 56.379 56.287 0.169 0.000 1.128 185 K CB 1.102 33.794 32.500 0.319 0.000 0.853 185 K HN 0.055 nan 8.250 nan 0.000 0.523 186 I N 2.345 122.988 120.570 0.122 0.000 2.331 186 I HA 0.170 4.341 4.170 0.001 0.000 0.292 186 I C -0.293 175.874 176.117 0.083 0.000 0.998 186 I CA -0.720 60.654 61.300 0.124 0.000 1.267 186 I CB 1.168 39.255 38.000 0.145 0.000 1.386 186 I HN -0.104 nan 8.210 nan 0.000 0.476 187 I N 7.431 127.997 120.570 -0.006 0.000 2.371 187 I HA 0.188 4.358 4.170 0.001 0.000 0.282 187 I C -0.536 175.611 176.117 0.050 0.000 1.031 187 I CA -0.592 60.693 61.300 -0.025 0.000 1.180 187 I CB 0.446 38.318 38.000 -0.214 0.000 1.336 187 I HN 0.500 nan 8.210 nan 0.000 0.467 188 Y N 7.467 127.777 120.300 0.017 0.000 2.327 188 Y HA 0.554 5.105 4.550 0.001 0.000 0.336 188 Y C -0.407 175.472 175.900 -0.036 0.000 1.035 188 Y CA -0.439 57.678 58.100 0.028 0.000 1.165 188 Y CB 1.269 39.876 38.460 0.244 0.000 1.181 188 Y HN 0.497 nan 8.280 nan 0.000 0.494 189 M N 9.551 128.771 119.600 -0.634 0.000 2.067 189 M HA 0.356 4.837 4.480 0.001 0.000 0.286 189 M C -2.706 173.143 176.300 -0.752 0.000 0.922 189 M CA -1.807 53.123 55.300 -0.617 0.000 0.937 189 M CB 1.735 34.077 32.600 -0.430 0.000 1.550 189 M HN 0.403 nan 8.290 nan 0.000 0.433 190 P HA 0.532 nan 4.420 nan 0.000 0.281 190 P C -1.277 175.656 177.300 -0.612 0.000 1.249 190 P CA -0.260 62.551 63.100 -0.481 0.000 0.810 190 P CB 0.721 32.282 31.700 -0.233 0.000 1.008 191 F N -0.051 119.900 119.950 0.001 0.000 2.588 191 F HA 0.292 4.819 4.527 0.001 0.000 0.310 191 F C 1.041 176.871 175.800 0.050 0.000 1.082 191 F CA -0.352 57.673 58.000 0.042 0.000 0.929 191 F CB 1.771 40.819 39.000 0.080 0.000 1.254 191 F HN 0.194 nan 8.300 nan 0.000 0.455 192 D N 0.282 120.810 120.400 0.213 0.000 2.305 192 D HA 0.003 4.643 4.640 0.001 0.000 0.206 192 D C -0.135 176.243 176.300 0.129 0.000 0.974 192 D CA 0.899 54.979 54.000 0.132 0.000 0.871 192 D CB 0.237 41.090 40.800 0.087 0.000 0.947 192 D HN 0.546 nan 8.370 nan 0.000 0.516 193 N N -0.316 118.484 118.700 0.167 0.000 2.277 193 N HA 0.007 4.748 4.740 0.001 0.000 0.286 193 N C 0.437 176.015 175.510 0.115 0.000 1.140 193 N CA -0.452 52.666 53.050 0.114 0.000 0.799 193 N CB 2.594 41.132 38.487 0.085 0.000 1.596 193 N HN -0.227 nan 8.380 nan 0.000 0.473 194 E N 1.319 121.562 120.200 0.071 0.000 2.118 194 E HA -0.175 4.176 4.350 0.001 0.000 0.195 194 E C 0.928 177.566 176.600 0.062 0.000 0.992 194 E CA 1.299 57.730 56.400 0.052 0.000 0.804 194 E CB 0.157 29.882 29.700 0.043 0.000 0.741 194 E HN 0.561 nan 8.360 nan 0.000 0.458 195 K N 0.147 120.597 120.400 0.083 0.000 2.063 195 K HA -0.194 4.126 4.320 0.001 0.000 0.208 195 K C 2.163 178.898 176.600 0.224 0.000 1.048 195 K CA 1.579 57.984 56.287 0.196 0.000 0.928 195 K CB -0.068 32.496 32.500 0.107 0.000 0.713 195 K HN 0.027 nan 8.250 nan 0.000 0.442 196 E N 0.876 121.164 120.200 0.146 0.000 2.106 196 E HA -0.137 4.213 4.350 0.001 0.000 0.192 196 E C 1.732 178.267 176.600 -0.108 0.000 0.984 196 E CA 0.448 56.937 56.400 0.148 0.000 0.806 196 E CB -0.191 29.687 29.700 0.296 0.000 0.750 196 E HN 0.082 nan 8.360 nan 0.000 0.458 197 L N 0.565 121.569 121.223 -0.366 0.000 1.970 197 L HA -0.178 4.163 4.340 0.001 0.000 0.212 197 L C 1.960 178.568 176.870 -0.437 0.000 1.071 197 L CA 1.830 56.102 54.840 -0.948 0.000 0.751 197 L CB -1.160 40.617 42.059 -0.469 0.000 0.889 197 L HN 0.240 nan 8.230 nan 0.000 0.432 198 L N -1.128 120.006 121.223 -0.148 0.000 2.083 198 L HA -0.243 4.097 4.340 0.001 0.000 0.209 198 L C 2.676 179.485 176.870 -0.103 0.000 1.083 198 L CA 0.946 55.759 54.840 -0.045 0.000 0.752 198 L CB -0.507 41.636 42.059 0.141 0.000 0.899 198 L HN 0.310 nan 8.230 nan 0.000 0.433 199 M N -0.858 118.669 119.600 -0.121 0.000 2.229 199 M HA -0.133 4.347 4.480 0.001 0.000 0.264 199 M C 2.194 178.457 176.300 -0.063 0.000 1.063 199 M CA 1.425 56.606 55.300 -0.198 0.000 1.114 199 M CB -0.789 31.734 32.600 -0.130 0.000 1.387 199 M HN 0.149 nan 8.290 nan 0.000 0.420 200 E N -0.855 119.352 120.200 0.012 0.000 2.107 200 E HA -0.158 4.193 4.350 0.001 0.000 0.191 200 E C 1.846 178.553 176.600 0.179 0.000 0.982 200 E CA 0.904 57.399 56.400 0.159 0.000 0.809 200 E CB -0.389 29.516 29.700 0.342 0.000 0.756 200 E HN 0.500 nan 8.360 nan 0.000 0.459 201 Y N 0.861 121.077 120.300 -0.139 0.000 2.181 201 Y HA -0.203 4.348 4.550 0.001 0.000 0.288 201 Y C 2.177 178.068 175.900 -0.014 0.000 1.146 201 Y CA 1.145 59.061 58.100 -0.307 0.000 1.164 201 Y CB -0.397 37.725 38.460 -0.563 0.000 0.982 201 Y HN 0.039 nan 8.280 nan 0.000 0.515 202 L N 0.867 122.026 121.223 -0.107 0.000 2.046 202 L HA -0.234 4.107 4.340 0.001 0.000 0.208 202 L C 1.944 178.767 176.870 -0.079 0.000 1.077 202 L CA 1.850 56.585 54.840 -0.175 0.000 0.747 202 L CB -1.038 40.884 42.059 -0.228 0.000 0.896 202 L HN 0.230 nan 8.230 nan 0.000 0.432 203 N N -1.002 117.685 118.700 -0.023 0.000 2.142 203 N HA -0.222 4.518 4.740 0.001 0.000 0.186 203 N C 1.857 177.386 175.510 0.032 0.000 1.023 203 N CA 1.541 54.599 53.050 0.012 0.000 0.852 203 N CB -0.527 37.987 38.487 0.046 0.000 0.998 203 N HN 0.424 nan 8.380 nan 0.000 0.424 204 F N 1.071 120.965 119.950 -0.094 0.000 2.126 204 F HA -0.188 4.339 4.527 0.001 0.000 0.299 204 F C 2.350 178.007 175.800 -0.239 0.000 1.096 204 F CA 1.344 59.251 58.000 -0.155 0.000 1.255 204 F CB -0.315 38.618 39.000 -0.111 0.000 0.997 204 F HN 0.144 nan 8.300 nan 0.000 0.479 205 W N 1.521 122.513 121.300 -0.515 0.000 2.358 205 W HA -0.194 4.466 4.660 0.001 0.000 0.303 205 W C 1.998 178.268 176.519 -0.415 0.000 1.208 205 W CA 1.789 58.788 57.345 -0.577 0.000 1.274 205 W CB -0.453 28.710 29.460 -0.496 0.000 1.138 205 W HN 0.180 nan 8.180 nan 0.000 0.515 206 Q N -0.123 119.669 119.800 -0.013 0.000 2.226 206 Q HA -0.188 4.152 4.340 0.001 0.000 0.204 206 Q C 1.917 177.821 176.000 -0.159 0.000 0.975 206 Q CA 1.244 57.019 55.803 -0.046 0.000 0.866 206 Q CB -0.627 28.097 28.738 -0.023 0.000 0.915 206 Q HN 0.424 nan 8.270 nan 0.000 0.440 207 Q N 0.471 120.126 119.800 -0.241 0.000 2.212 207 Q HA 0.055 4.395 4.340 0.001 0.000 0.199 207 Q C 0.294 176.077 176.000 -0.360 0.000 0.950 207 Q CA 0.799 56.449 55.803 -0.255 0.000 0.863 207 Q CB 0.443 29.050 28.738 -0.220 0.000 0.944 207 Q HN 0.312 nan 8.270 nan 0.000 0.465 208 K N 1.000 121.051 120.400 -0.582 0.000 3.022 208 K HA 0.266 4.586 4.320 0.001 0.000 0.178 208 K C -0.853 175.340 176.600 -0.680 0.000 1.089 208 K CA -0.104 55.815 56.287 -0.613 0.000 0.916 208 K CB 1.061 33.057 32.500 -0.839 0.000 1.159 208 K HN -0.147 nan 8.250 nan 0.000 0.592 209 T N 3.307 117.533 114.554 -0.547 0.000 2.829 209 T HA 0.081 4.431 4.350 0.001 0.000 0.293 209 T C -2.278 172.103 174.700 -0.533 0.000 0.970 209 T CA -0.954 60.762 62.100 -0.639 0.000 1.168 209 T CB 0.155 68.811 68.868 -0.353 0.000 0.911 209 T HN 0.089 nan 8.240 nan 0.000 0.535 210 P HA 0.133 nan 4.420 nan 0.000 0.269 210 P C 0.525 177.689 177.300 -0.226 0.000 1.209 210 P CA -0.253 62.593 63.100 -0.423 0.000 0.776 210 P CB 0.686 32.068 31.700 -0.530 0.000 0.876 211 V N 3.173 123.016 119.914 -0.118 0.000 2.521 211 V HA 0.083 4.204 4.120 0.001 0.000 0.239 211 V C 0.965 177.051 176.094 -0.014 0.000 1.053 211 V CA 1.058 63.337 62.300 -0.035 0.000 1.073 211 V CB -0.172 31.661 31.823 0.017 0.000 0.746 211 V HN 0.402 nan 8.190 nan 0.000 0.476 212 I N 1.693 122.257 120.570 -0.009 0.000 2.339 212 I HA 0.377 4.547 4.170 0.001 0.000 0.290 212 I C -1.056 175.064 176.117 0.006 0.000 0.994 212 I CA -0.493 60.818 61.300 0.017 0.000 1.191 212 I CB 1.672 39.699 38.000 0.046 0.000 1.343 212 I HN 0.094 nan 8.210 nan 0.000 0.458 213 L N 6.951 128.191 121.223 0.028 0.000 2.280 213 L HA 0.616 4.956 4.340 0.001 0.000 0.287 213 L C -0.183 176.778 176.870 0.151 0.000 1.023 213 L CA 0.576 55.436 54.840 0.033 0.000 0.819 213 L CB 1.484 43.565 42.059 0.036 0.000 1.212 213 L HN 0.687 nan 8.230 nan 0.000 0.420 214 T N 2.718 117.401 114.554 0.214 0.000 2.669 214 T HA 0.970 5.321 4.350 0.001 0.000 0.283 214 T C -0.525 174.412 174.700 0.395 0.000 1.019 214 T CA -0.113 62.167 62.100 0.301 0.000 1.039 214 T CB 1.345 70.403 68.868 0.316 0.000 1.374 214 T HN 1.193 nan 8.240 nan 0.000 0.523 215 G N -0.317 108.712 108.800 0.382 0.000 2.361 215 G HA2 0.122 4.083 3.960 0.001 0.000 0.331 215 G HA3 0.122 4.083 3.960 0.001 0.000 0.331 215 G C -1.835 173.271 174.900 0.345 0.000 1.324 215 G CA -0.664 44.656 45.100 0.367 0.000 0.984 215 G HN 0.715 nan 8.290 nan 0.000 0.586 216 W N 1.439 122.824 121.300 0.142 0.000 2.345 216 W HA 0.396 5.057 4.660 0.001 0.000 0.308 216 W C 0.876 177.456 176.519 0.100 0.000 1.273 216 W CA 0.710 58.129 57.345 0.122 0.000 1.243 216 W CB 0.632 30.128 29.460 0.059 0.000 1.260 216 W HN 0.885 nan 8.180 nan 0.000 0.509 217 N N 2.507 121.165 118.700 -0.070 0.000 2.741 217 N HA -0.241 4.500 4.740 0.001 0.000 0.251 217 N C 0.801 176.381 175.510 0.116 0.000 1.112 217 N CA 0.933 53.999 53.050 0.027 0.000 0.750 217 N CB -1.145 37.424 38.487 0.138 0.000 1.119 217 N HN 0.233 nan 8.380 nan 0.000 0.561 218 V N -0.131 119.857 119.914 0.124 0.000 2.490 218 V HA -0.223 3.897 4.120 0.001 0.000 0.250 218 V C 2.134 178.332 176.094 0.173 0.000 1.061 218 V CA 2.352 64.761 62.300 0.180 0.000 1.064 218 V CB -0.232 31.774 31.823 0.305 0.000 0.670 218 V HN 0.497 nan 8.190 nan 0.000 0.461 219 E N 0.219 120.480 120.200 0.101 0.000 2.158 219 E HA -0.148 4.202 4.350 0.001 0.000 0.191 219 E C 2.172 178.806 176.600 0.057 0.000 0.982 219 E CA 1.310 57.747 56.400 0.061 0.000 0.823 219 E CB 0.030 29.718 29.700 -0.020 0.000 0.766 219 E HN 0.745 nan 8.360 nan 0.000 0.468 220 S N -1.234 114.511 115.700 0.076 0.000 2.503 220 S HA 0.051 4.522 4.470 0.001 0.000 0.217 220 S C 1.263 175.988 174.600 0.209 0.000 0.999 220 S CA -0.167 58.096 58.200 0.105 0.000 0.914 220 S CB 0.133 63.382 63.200 0.083 0.000 0.782 220 S HN 0.371 nan 8.310 nan 0.000 0.520 221 F N 1.755 121.750 119.950 0.076 0.000 2.182 221 F HA 0.258 4.785 4.527 0.001 0.000 0.254 221 F C 0.979 176.855 175.800 0.127 0.000 0.972 221 F CA 0.253 58.317 58.000 0.107 0.000 1.182 221 F CB -0.300 38.746 39.000 0.076 0.000 1.382 221 F HN 0.011 nan 8.300 nan 0.000 0.718 222 D N 1.677 122.139 120.400 0.105 0.000 2.126 222 D HA -0.242 4.399 4.640 0.001 0.000 0.190 222 D C 2.222 178.540 176.300 0.030 0.000 1.001 222 D CA 2.639 56.597 54.000 -0.070 0.000 0.841 222 D CB -0.353 40.299 40.800 -0.248 0.000 0.949 222 D HN 0.339 nan 8.370 nan 0.000 0.446 223 I N 0.502 121.187 120.570 0.193 0.000 2.142 223 I HA -0.160 4.010 4.170 0.001 0.000 0.240 223 I C -0.706 175.496 176.117 0.141 0.000 1.078 223 I CA 1.009 62.469 61.300 0.267 0.000 1.343 223 I CB -1.088 37.062 38.000 0.251 0.000 1.046 223 I HN 0.012 nan 8.210 nan 0.000 0.405 224 P HA -0.215 nan 4.420 nan 0.000 0.215 224 P C 1.517 178.820 177.300 0.004 0.000 1.153 224 P CA 1.534 64.659 63.100 0.041 0.000 0.853 224 P CB -0.112 31.593 31.700 0.007 0.000 0.788 225 Y N -0.194 119.980 120.300 -0.210 0.000 2.163 225 Y HA -0.149 4.401 4.550 0.001 0.000 0.288 225 Y C 2.381 178.211 175.900 -0.116 0.000 1.136 225 Y CA 1.198 59.137 58.100 -0.268 0.000 1.147 225 Y CB -0.966 37.092 38.460 -0.670 0.000 0.987 225 Y HN -0.275 nan 8.280 nan 0.000 0.509 226 V N -0.429 119.581 119.914 0.160 0.000 2.427 226 V HA -0.274 3.847 4.120 0.001 0.000 0.248 226 V C 2.064 178.201 176.094 0.073 0.000 1.051 226 V CA 2.135 64.520 62.300 0.142 0.000 1.048 226 V CB -0.729 31.197 31.823 0.171 0.000 0.666 226 V HN 0.610 nan 8.190 nan 0.000 0.456 227 Y N 1.507 121.786 120.300 -0.035 0.000 2.145 227 Y HA -0.213 4.338 4.550 0.001 0.000 0.286 227 Y C 2.495 178.349 175.900 -0.078 0.000 1.145 227 Y CA 2.411 60.471 58.100 -0.066 0.000 1.148 227 Y CB -0.392 38.035 38.460 -0.054 0.000 0.981 227 Y HN 0.342 nan 8.280 nan 0.000 0.507 228 N N 0.144 118.789 118.700 -0.092 0.000 2.244 228 N HA -0.156 4.584 4.740 0.001 0.000 0.183 228 N C 1.947 177.308 175.510 -0.249 0.000 1.016 228 N CA 1.163 54.085 53.050 -0.213 0.000 0.866 228 N CB -0.319 38.056 38.487 -0.186 0.000 0.980 228 N HN 0.252 nan 8.380 nan 0.000 0.430 229 R N 1.487 121.852 120.500 -0.225 0.000 2.075 229 R HA 0.127 4.468 4.340 0.001 0.000 0.232 229 R C 2.101 178.364 176.300 -0.063 0.000 1.126 229 R CA 0.887 56.904 56.100 -0.138 0.000 0.963 229 R CB -0.589 29.715 30.300 0.005 0.000 0.858 229 R HN 0.203 nan 8.270 nan 0.000 0.435 230 I N 0.450 120.994 120.570 -0.043 0.000 2.394 230 I HA -0.222 3.948 4.170 0.001 0.000 0.251 230 I C 2.387 178.500 176.117 -0.008 0.000 1.136 230 I CA 1.176 62.517 61.300 0.069 0.000 1.425 230 I CB -0.309 37.675 38.000 -0.027 0.000 1.079 230 I HN 0.251 nan 8.210 nan 0.000 0.425 231 K N 1.467 121.738 120.400 -0.215 0.000 2.057 231 K HA -0.175 4.146 4.320 0.001 0.000 0.206 231 K C 1.702 178.215 176.600 -0.145 0.000 1.050 231 K CA 1.734 57.876 56.287 -0.241 0.000 0.935 231 K CB -0.118 32.149 32.500 -0.389 0.000 0.715 231 K HN 0.415 nan 8.250 nan 0.000 0.439 232 N N 0.242 118.852 118.700 -0.149 0.000 2.188 232 N HA -0.098 4.643 4.740 0.001 0.000 0.184 232 N C 1.906 177.322 175.510 -0.157 0.000 1.018 232 N CA 1.150 54.117 53.050 -0.137 0.000 0.858 232 N CB 0.006 38.408 38.487 -0.142 0.000 0.989 232 N HN 0.182 nan 8.380 nan 0.000 0.426 233 I N -0.603 119.851 120.570 -0.193 0.000 2.400 233 I HA -0.106 4.064 4.170 0.001 0.000 0.248 233 I C 0.799 176.586 176.117 -0.550 0.000 1.109 233 I CA 1.097 62.156 61.300 -0.402 0.000 1.425 233 I CB 0.103 37.772 38.000 -0.551 0.000 1.094 233 I HN 0.053 nan 8.210 nan 0.000 0.425 234 F N 0.422 120.318 119.950 -0.090 0.000 2.724 234 F HA 0.453 4.981 4.527 0.001 0.000 0.306 234 F C 1.013 176.761 175.800 -0.087 0.000 1.100 234 F CA 0.144 58.096 58.000 -0.079 0.000 1.255 234 F CB 0.448 39.401 39.000 -0.079 0.000 1.072 234 F HN 0.035 nan 8.300 nan 0.000 0.589 235 G N 0.999 109.821 108.800 0.037 0.000 2.650 235 G HA2 -0.196 3.765 3.960 0.001 0.000 0.686 235 G HA3 -0.196 3.765 3.960 0.001 0.000 0.686 235 G C 0.243 175.111 174.900 -0.053 0.000 1.205 235 G CA -0.235 44.855 45.100 -0.016 0.000 0.781 235 G HN 0.229 nan 8.290 nan 0.000 0.648 236 E N 0.115 120.268 120.200 -0.079 0.000 2.097 236 E HA -0.170 4.181 4.350 0.001 0.000 0.196 236 E C 2.536 179.092 176.600 -0.074 0.000 1.000 236 E CA 2.179 58.516 56.400 -0.105 0.000 0.804 236 E CB -0.159 29.507 29.700 -0.056 0.000 0.740 236 E HN 0.517 nan 8.360 nan 0.000 0.454 237 S N -0.328 115.347 115.700 -0.042 0.000 2.383 237 S HA -0.153 4.318 4.470 0.001 0.000 0.229 237 S C 1.984 176.556 174.600 -0.046 0.000 1.030 237 S CA 1.578 59.759 58.200 -0.032 0.000 1.002 237 S CB -0.363 62.825 63.200 -0.021 0.000 0.829 237 S HN 0.387 nan 8.310 nan 0.000 0.467 238 T N 2.287 116.809 114.554 -0.052 0.000 2.777 238 T HA 0.036 4.387 4.350 0.001 0.000 0.266 238 T C 2.185 176.808 174.700 -0.129 0.000 1.040 238 T CA 1.088 63.135 62.100 -0.089 0.000 1.141 238 T CB -0.490 68.336 68.868 -0.071 0.000 0.868 238 T HN 0.457 nan 8.240 nan 0.000 0.444 239 A N 1.836 124.561 122.820 -0.158 0.000 1.940 239 A HA -0.127 4.193 4.320 0.001 0.000 0.219 239 A C 2.153 179.712 177.584 -0.041 0.000 1.176 239 A CA 1.481 53.367 52.037 -0.252 0.000 0.631 239 A CB -0.485 18.116 19.000 -0.665 0.000 0.814 239 A HN 0.440 nan 8.150 nan 0.000 0.446 240 K N -0.529 119.883 120.400 0.020 0.000 2.515 240 K HA -0.029 4.291 4.320 0.001 0.000 0.196 240 K C 1.636 178.244 176.600 0.014 0.000 1.038 240 K CA 0.543 56.885 56.287 0.091 0.000 0.967 240 K CB -0.081 32.448 32.500 0.048 0.000 0.780 240 K HN 0.436 nan 8.250 nan 0.000 0.483 241 R N 0.259 120.730 120.500 -0.048 0.000 2.323 241 R HA 0.030 4.371 4.340 0.001 0.000 0.198 241 R C 1.512 177.749 176.300 -0.105 0.000 0.988 241 R CA 0.357 56.416 56.100 -0.069 0.000 1.041 241 R CB -0.039 30.201 30.300 -0.099 0.000 0.926 241 R HN 0.173 nan 8.270 nan 0.000 0.476 242 L N 0.323 121.446 121.223 -0.166 0.000 2.478 242 L HA 0.004 4.344 4.340 0.001 0.000 0.223 242 L C 0.996 177.899 176.870 0.055 0.000 1.140 242 L CA 0.336 54.955 54.840 -0.369 0.000 0.842 242 L CB 0.085 41.899 42.059 -0.410 0.000 0.953 242 L HN -0.005 nan 8.230 nan 0.000 0.452 243 S N -0.088 115.650 115.700 0.063 0.000 2.451 243 S HA 0.326 4.797 4.470 0.001 0.000 0.301 243 S C -1.563 173.039 174.600 0.004 0.000 1.116 243 S CA -1.630 56.618 58.200 0.080 0.000 1.093 243 S CB 1.368 64.615 63.200 0.079 0.000 1.017 243 S HN -0.108 nan 8.310 nan 0.000 0.482 244 P HA -0.073 nan 4.420 nan 0.000 0.225 244 P C 0.234 177.375 177.300 -0.266 0.000 1.148 244 P CA 1.090 64.059 63.100 -0.219 0.000 0.779 244 P CB -0.105 31.390 31.700 -0.340 0.000 0.780 245 H N -0.501 118.570 119.070 0.001 0.000 2.505 245 H HA 0.265 4.822 4.556 0.001 0.000 0.286 245 H C 0.533 175.757 175.328 -0.173 0.000 1.072 245 H CA -0.305 55.659 56.048 -0.139 0.000 1.141 245 H CB 0.182 29.756 29.762 -0.312 0.000 1.550 245 H HN -0.075 nan 8.280 nan 0.000 0.547 246 R N 0.366 120.851 120.500 -0.025 0.000 3.627 246 R HA -0.211 4.129 4.340 0.001 0.000 0.281 246 R C 0.132 176.377 176.300 -0.092 0.000 1.140 246 R CA 0.542 56.617 56.100 -0.042 0.000 0.761 246 R CB -2.260 28.015 30.300 -0.042 0.000 1.181 246 R HN 0.445 nan 8.270 nan 0.000 0.472 247 K N 0.031 120.358 120.400 -0.122 0.000 2.345 247 K HA 0.468 4.789 4.320 0.001 0.000 0.255 247 K C -0.834 175.685 176.600 -0.136 0.000 0.934 247 K CA -0.313 55.793 56.287 -0.302 0.000 0.801 247 K CB 2.004 34.063 32.500 -0.736 0.000 1.137 247 K HN 0.013 nan 8.250 nan 0.000 0.424 248 T N 2.211 116.704 114.554 -0.102 0.000 2.906 248 T HA 0.510 4.861 4.350 0.001 0.000 0.295 248 T C -1.681 173.054 174.700 0.057 0.000 1.075 248 T CA -0.714 61.411 62.100 0.041 0.000 1.005 248 T CB 1.207 70.061 68.868 -0.024 0.000 1.136 248 T HN 0.645 nan 8.240 nan 0.000 0.498 249 R N 2.310 122.874 120.500 0.106 0.000 2.514 249 R HA 0.660 5.000 4.340 0.001 0.000 0.296 249 R C -1.888 174.404 176.300 -0.013 0.000 1.012 249 R CA -0.479 55.677 56.100 0.095 0.000 0.897 249 R CB 1.332 31.777 30.300 0.242 0.000 1.184 249 R HN 0.435 nan 8.270 nan 0.000 0.440 250 V N 5.032 124.935 119.914 -0.017 0.000 2.328 250 V HA 0.345 4.465 4.120 0.001 0.000 0.278 250 V C -0.127 175.957 176.094 -0.016 0.000 1.021 250 V CA -0.574 61.706 62.300 -0.033 0.000 0.838 250 V CB 1.273 33.097 31.823 0.001 0.000 0.999 250 V HN 0.629 nan 8.190 nan 0.000 0.447 251 K N 4.364 124.747 120.400 -0.027 0.000 2.213 251 K HA 0.645 4.965 4.320 0.001 0.000 0.270 251 K C -1.149 175.438 176.600 -0.021 0.000 1.002 251 K CA -0.501 55.771 56.287 -0.026 0.000 0.868 251 K CB 1.814 34.290 32.500 -0.039 0.000 1.093 251 K HN 0.470 nan 8.250 nan 0.000 0.454 252 V N 5.828 125.733 119.914 -0.015 0.000 2.439 252 V HA 0.304 4.424 4.120 0.001 0.000 0.282 252 V C 0.043 176.128 176.094 -0.015 0.000 1.039 252 V CA -0.844 61.451 62.300 -0.009 0.000 0.913 252 V CB 1.236 33.058 31.823 -0.002 0.000 0.983 252 V HN 0.675 nan 8.190 nan 0.000 0.460 253 I N 4.309 124.872 120.570 -0.012 0.000 2.377 253 I HA 0.459 4.630 4.170 0.001 0.000 0.293 253 I C 0.332 176.445 176.117 -0.007 0.000 0.987 253 I CA -0.515 60.775 61.300 -0.017 0.000 1.185 253 I CB 1.628 39.615 38.000 -0.022 0.000 1.341 253 I HN 0.689 nan 8.210 nan 0.000 0.455 254 E N 6.020 126.212 120.200 -0.013 0.000 2.242 254 E HA 0.438 4.788 4.350 0.001 0.000 0.275 254 E C -0.409 176.179 176.600 -0.020 0.000 1.002 254 E CA -0.652 55.741 56.400 -0.012 0.000 0.841 254 E CB 1.928 31.619 29.700 -0.016 0.000 1.109 254 E HN 0.627 nan 8.360 nan 0.000 0.394 255 N N 2.095 120.781 118.700 -0.024 0.000 2.825 255 N HA 0.098 4.839 4.740 0.001 0.000 0.253 255 N C 0.405 175.839 175.510 -0.127 0.000 1.426 255 N CA -0.563 52.455 53.050 -0.053 0.000 0.851 255 N CB 0.642 39.126 38.487 -0.006 0.000 1.470 255 N HN 0.408 nan 8.380 nan 0.000 0.517 256 M N -0.160 119.278 119.600 -0.270 0.000 2.116 256 M HA -0.240 4.240 4.480 0.001 0.000 0.255 256 M C 0.859 176.825 176.300 -0.557 0.000 1.075 256 M CA 2.367 57.357 55.300 -0.517 0.000 1.087 256 M CB -0.597 31.456 32.600 -0.911 0.000 1.340 256 M HN 0.531 nan 8.290 nan 0.000 0.402 257 Y N -1.083 119.226 120.300 0.015 0.000 2.265 257 Y HA 0.390 4.940 4.550 0.001 0.000 0.290 257 Y C 1.813 177.723 175.900 0.016 0.000 1.137 257 Y CA 0.572 58.683 58.100 0.018 0.000 1.147 257 Y CB -0.888 37.583 38.460 0.018 0.000 1.104 257 Y HN 0.137 nan 8.280 nan 0.000 0.514 258 G N -0.783 108.119 108.800 0.170 0.000 3.247 258 G HA2 0.500 4.461 3.960 0.001 0.000 0.226 258 G HA3 0.500 4.461 3.960 0.001 0.000 0.226 258 G C -1.204 173.734 174.900 0.062 0.000 1.220 258 G CA -0.356 44.804 45.100 0.100 0.000 0.875 258 G HN 0.186 nan 8.290 nan 0.000 0.606 259 S N -1.136 114.597 115.700 0.055 0.000 2.526 259 S HA 0.787 5.258 4.470 0.001 0.000 0.293 259 S C -0.620 174.006 174.600 0.044 0.000 1.092 259 S CA -0.707 57.515 58.200 0.037 0.000 0.980 259 S CB 2.762 65.978 63.200 0.027 0.000 1.048 259 S HN 0.690 nan 8.310 nan 0.000 0.483 260 R N 0.434 120.955 120.500 0.034 0.000 2.856 260 R HA 0.604 4.945 4.340 0.001 0.000 0.258 260 R C -0.999 175.314 176.300 0.022 0.000 1.066 260 R CA -0.660 55.462 56.100 0.037 0.000 1.045 260 R CB 1.555 31.875 30.300 0.033 0.000 1.178 260 R HN 0.849 nan 8.270 nan 0.000 0.499 261 E N 1.501 121.716 120.200 0.024 0.000 2.234 261 E HA 0.387 4.737 4.350 0.001 0.000 0.266 261 E C -1.279 175.320 176.600 -0.002 0.000 0.877 261 E CA -0.553 55.852 56.400 0.009 0.000 0.758 261 E CB 1.672 31.381 29.700 0.016 0.000 1.170 261 E HN 0.385 nan 8.360 nan 0.000 0.415 262 I N 4.656 125.213 120.570 -0.022 0.000 2.418 262 I HA 0.299 4.470 4.170 0.001 0.000 0.287 262 I C -0.947 175.132 176.117 -0.064 0.000 1.008 262 I CA -0.861 60.416 61.300 -0.037 0.000 1.104 262 I CB 1.353 39.324 38.000 -0.049 0.000 1.264 262 I HN 0.408 nan 8.210 nan 0.000 0.438 263 I N 5.233 125.751 120.570 -0.086 0.000 2.315 263 I HA 0.200 4.370 4.170 0.001 0.000 0.291 263 I C 0.643 176.683 176.117 -0.128 0.000 1.006 263 I CA -0.086 61.112 61.300 -0.170 0.000 1.265 263 I CB 1.594 39.401 38.000 -0.322 0.000 1.387 263 I HN 0.458 nan 8.210 nan 0.000 0.475 264 T N 7.301 121.789 114.554 -0.110 0.000 2.767 264 T HA 0.624 4.974 4.350 0.001 0.000 0.288 264 T C -0.504 174.176 174.700 -0.033 0.000 0.963 264 T CA -0.582 61.466 62.100 -0.086 0.000 1.019 264 T CB 0.184 68.978 68.868 -0.125 0.000 0.923 264 T HN 0.382 nan 8.240 nan 0.000 0.468 265 L N 5.420 126.634 121.223 -0.015 0.000 2.277 265 L HA 0.462 4.803 4.340 0.001 0.000 0.284 265 L C -0.314 176.629 176.870 0.121 0.000 1.028 265 L CA -1.028 53.857 54.840 0.075 0.000 0.835 265 L CB 0.523 42.625 42.059 0.073 0.000 1.215 265 L HN 0.609 nan 8.230 nan 0.000 0.425 266 F N 2.313 122.262 119.950 -0.002 0.000 2.608 266 F HA 0.268 4.796 4.527 0.001 0.000 0.380 266 F C 1.505 177.350 175.800 0.075 0.000 1.083 266 F CA 1.179 59.212 58.000 0.054 0.000 1.266 266 F CB 0.519 39.552 39.000 0.055 0.000 1.076 266 F HN 0.743 nan 8.300 nan 0.000 0.574 267 G N 2.916 111.860 108.800 0.240 0.000 2.176 267 G HA2 -0.244 3.717 3.960 0.001 0.000 0.232 267 G HA3 -0.244 3.717 3.960 0.001 0.000 0.232 267 G C -0.167 174.764 174.900 0.052 0.000 0.986 267 G CA -0.159 45.021 45.100 0.132 0.000 0.643 267 G HN 0.556 nan 8.290 nan 0.000 0.522 268 I N 0.957 121.558 120.570 0.051 0.000 2.647 268 I HA 0.492 4.663 4.170 0.001 0.000 0.295 268 I C -0.400 175.733 176.117 0.027 0.000 1.078 268 I CA -0.872 60.453 61.300 0.041 0.000 1.048 268 I CB 2.382 40.431 38.000 0.081 0.000 1.239 268 I HN 0.008 nan 8.210 nan 0.000 0.421 269 S N 4.378 120.094 115.700 0.027 0.000 2.461 269 S HA 0.390 4.861 4.470 0.001 0.000 0.322 269 S C -0.270 174.356 174.600 0.043 0.000 1.063 269 S CA -0.541 57.671 58.200 0.020 0.000 1.120 269 S CB 1.142 64.347 63.200 0.008 0.000 0.968 269 S HN 0.269 nan 8.310 nan 0.000 0.467 270 V N 5.629 125.580 119.914 0.061 0.000 2.461 270 V HA 0.348 4.468 4.120 0.001 0.000 0.275 270 V C -0.139 176.043 176.094 0.146 0.000 1.047 270 V CA -0.273 62.088 62.300 0.102 0.000 0.955 270 V CB 0.693 32.575 31.823 0.099 0.000 0.988 270 V HN 0.732 nan 8.190 nan 0.000 0.471 271 L N 4.321 125.642 121.223 0.163 0.000 2.433 271 L HA 0.386 4.726 4.340 0.001 0.000 0.256 271 L C 0.008 176.996 176.870 0.195 0.000 1.063 271 L CA -0.445 54.532 54.840 0.227 0.000 0.922 271 L CB 1.231 43.340 42.059 0.084 0.000 1.238 271 L HN 0.563 nan 8.230 nan 0.000 0.466 272 D N 0.803 121.284 120.400 0.136 0.000 2.487 272 D HA -0.151 4.489 4.640 0.001 0.000 0.243 272 D C 0.692 176.986 176.300 -0.010 0.000 1.154 272 D CA 0.513 54.535 54.000 0.038 0.000 0.876 272 D CB 0.861 41.599 40.800 -0.102 0.000 1.161 272 D HN 0.350 nan 8.370 nan 0.000 0.478 273 Y N 3.889 124.138 120.300 -0.085 0.000 2.352 273 Y HA -0.112 4.439 4.550 0.001 0.000 0.292 273 Y C 2.118 177.737 175.900 -0.469 0.000 1.136 273 Y CA 0.839 58.863 58.100 -0.126 0.000 1.227 273 Y CB -0.001 38.489 38.460 0.051 0.000 0.991 273 Y HN 0.580 nan 8.280 nan 0.000 0.545 274 I N -0.667 119.475 120.570 -0.713 0.000 2.315 274 I HA -0.288 3.883 4.170 0.001 0.000 0.248 274 I C 1.639 177.488 176.117 -0.446 0.000 1.117 274 I CA 1.651 62.417 61.300 -0.890 0.000 1.404 274 I CB -0.135 37.306 38.000 -0.933 0.000 1.071 274 I HN 0.154 nan 8.210 nan 0.000 0.419 275 D N 0.401 120.554 120.400 -0.411 0.000 2.149 275 D HA -0.135 4.505 4.640 0.001 0.000 0.201 275 D C 2.063 178.181 176.300 -0.304 0.000 0.972 275 D CA 0.866 54.605 54.000 -0.435 0.000 0.835 275 D CB -0.081 40.288 40.800 -0.719 0.000 0.966 275 D HN 0.252 nan 8.370 nan 0.000 0.476 276 L N 0.378 121.459 121.223 -0.236 0.000 2.046 276 L HA -0.187 4.154 4.340 0.001 0.000 0.208 276 L C 2.236 178.619 176.870 -0.813 0.000 1.077 276 L CA 1.442 55.956 54.840 -0.544 0.000 0.747 276 L CB -0.883 40.819 42.059 -0.596 0.000 0.896 276 L HN 0.043 nan 8.230 nan 0.000 0.432 277 Y N 0.277 120.242 120.300 -0.558 0.000 2.145 277 Y HA -0.277 4.274 4.550 0.001 0.000 0.286 277 Y C 2.499 178.202 175.900 -0.328 0.000 1.145 277 Y CA 1.961 59.893 58.100 -0.280 0.000 1.148 277 Y CB -0.075 38.512 38.460 0.212 0.000 0.981 277 Y HN 0.117 nan 8.280 nan 0.000 0.507 278 K N 0.024 120.283 120.400 -0.234 0.000 2.152 278 K HA -0.226 4.094 4.320 0.001 0.000 0.206 278 K C 2.180 178.549 176.600 -0.386 0.000 1.048 278 K CA 1.698 57.780 56.287 -0.341 0.000 0.933 278 K CB -0.123 32.083 32.500 -0.490 0.000 0.721 278 K HN 0.264 nan 8.250 nan 0.000 0.447 279 K N 0.000 120.082 120.400 -0.531 0.000 2.098 279 K HA -0.055 4.266 4.320 0.001 0.000 0.203 279 K C 1.596 177.889 176.600 -0.513 0.000 1.051 279 K CA 1.004 56.973 56.287 -0.530 0.000 0.957 279 K CB 0.130 32.230 32.500 -0.667 0.000 0.738 279 K HN -0.032 nan 8.250 nan 0.000 0.447 280 F N 1.403 120.903 119.950 -0.750 0.000 2.387 280 F HA 0.105 4.632 4.527 0.001 0.000 0.294 280 F C 1.220 176.439 175.800 -0.968 0.000 1.093 280 F CA -0.116 57.337 58.000 -0.912 0.000 1.420 280 F CB -0.762 37.532 39.000 -1.176 0.000 1.086 280 F HN -0.105 nan 8.300 nan 0.000 0.531 281 S N 0.790 116.081 115.700 -0.681 0.000 2.533 281 S HA 0.074 4.545 4.470 0.001 0.000 0.282 281 S C -0.196 174.198 174.600 -0.344 0.000 1.304 281 S CA -0.394 57.567 58.200 -0.399 0.000 1.063 281 S CB -0.380 62.455 63.200 -0.608 0.000 0.881 281 S HN 0.165 nan 8.310 nan 0.000 0.493 282 F N 2.905 122.902 119.950 0.078 0.000 2.871 282 F HA 0.269 4.797 4.527 0.001 0.000 0.317 282 F C 1.358 177.208 175.800 0.082 0.000 1.193 282 F CA -0.345 57.702 58.000 0.078 0.000 1.311 282 F CB -0.472 38.583 39.000 0.092 0.000 1.380 282 F HN 0.838 nan 8.300 nan 0.000 0.557 283 T N -3.807 110.851 114.554 0.173 0.000 2.681 283 T HA 0.414 4.764 4.350 0.001 0.000 0.296 283 T C -0.312 174.463 174.700 0.124 0.000 1.157 283 T CA -1.034 61.147 62.100 0.134 0.000 1.025 283 T CB 1.960 70.875 68.868 0.078 0.000 1.441 283 T HN 0.140 nan 8.240 nan 0.000 0.504 284 N N -0.073 118.680 118.700 0.089 0.000 2.622 284 N HA 0.236 4.977 4.740 0.001 0.000 0.293 284 N C -1.021 174.511 175.510 0.037 0.000 1.788 284 N CA -0.437 52.695 53.050 0.137 0.000 0.860 284 N CB 0.820 39.370 38.487 0.104 0.000 1.388 284 N HN 0.427 nan 8.380 nan 0.000 0.496 285 Q N 1.426 121.157 119.800 -0.114 0.000 2.375 285 Q HA -0.067 4.273 4.340 0.001 0.000 0.344 285 Q C -1.289 174.496 176.000 -0.358 0.000 1.169 285 Q CA -0.107 55.517 55.803 -0.298 0.000 1.035 285 Q CB 0.547 29.047 28.738 -0.396 0.000 1.222 285 Q HN 0.285 nan 8.270 nan 0.000 0.412 286 P HA -0.032 nan 4.420 nan 0.000 0.242 286 P C -0.503 176.552 177.300 -0.408 0.000 1.197 286 P CA 0.589 63.502 63.100 -0.311 0.000 0.765 286 P CB 0.663 32.190 31.700 -0.289 0.000 0.936 287 S N -1.086 114.229 115.700 -0.642 0.000 2.533 287 S HA 0.437 4.908 4.470 0.001 0.000 0.271 287 S C -1.232 173.103 174.600 -0.442 0.000 1.143 287 S CA -0.522 57.380 58.200 -0.497 0.000 0.891 287 S CB 0.614 63.410 63.200 -0.673 0.000 1.105 287 S HN -0.125 nan 8.310 nan 0.000 0.468 288 Y N 2.332 122.672 120.300 0.068 0.000 2.720 288 Y HA 0.302 4.853 4.550 0.001 0.000 0.268 288 Y C 1.252 177.367 175.900 0.359 0.000 1.142 288 Y CA -0.278 57.960 58.100 0.231 0.000 1.193 288 Y CB 0.493 39.077 38.460 0.208 0.000 1.176 288 Y HN 0.694 nan 8.280 nan 0.000 0.542 289 S N -0.592 115.271 115.700 0.271 0.000 2.593 289 S HA 0.033 4.503 4.470 0.001 0.000 0.269 289 S C 1.201 175.750 174.600 -0.084 0.000 1.334 289 S CA -0.608 57.701 58.200 0.182 0.000 1.015 289 S CB 1.157 64.395 63.200 0.064 0.000 0.912 289 S HN 0.360 nan 8.310 nan 0.000 0.541 290 L N 1.074 121.993 121.223 -0.507 0.000 2.079 290 L HA -0.072 4.269 4.340 0.001 0.000 0.210 290 L C 1.912 178.475 176.870 -0.513 0.000 1.081 290 L CA 1.951 56.186 54.840 -1.008 0.000 0.752 290 L CB -1.233 40.208 42.059 -1.030 0.000 0.896 290 L HN 0.799 nan 8.230 nan 0.000 0.433 291 D N -1.631 118.602 120.400 -0.278 0.000 2.097 291 D HA -0.265 4.375 4.640 0.001 0.000 0.195 291 D C 2.026 178.249 176.300 -0.128 0.000 0.989 291 D CA 1.637 55.528 54.000 -0.181 0.000 0.827 291 D CB -0.260 40.477 40.800 -0.104 0.000 0.966 291 D HN 0.435 nan 8.370 nan 0.000 0.456 292 Y N 1.049 121.250 120.300 -0.165 0.000 2.114 292 Y HA -0.204 4.346 4.550 0.001 0.000 0.284 292 Y C 2.215 178.051 175.900 -0.106 0.000 1.143 292 Y CA 1.155 59.183 58.100 -0.121 0.000 1.135 292 Y CB -0.305 38.081 38.460 -0.123 0.000 0.980 292 Y HN -0.143 nan 8.280 nan 0.000 0.499 293 I N -0.520 119.977 120.570 -0.121 0.000 2.493 293 I HA -0.256 3.914 4.170 0.001 0.000 0.254 293 I C 2.497 178.509 176.117 -0.174 0.000 1.160 293 I CA 1.339 62.537 61.300 -0.169 0.000 1.445 293 I CB -0.837 37.011 38.000 -0.254 0.000 1.086 293 I HN 0.104 nan 8.210 nan 0.000 0.433 294 S N -0.284 115.258 115.700 -0.263 0.000 2.355 294 S HA -0.222 4.249 4.470 0.001 0.000 0.222 294 S C 2.033 176.523 174.600 -0.184 0.000 1.031 294 S CA 1.366 59.424 58.200 -0.235 0.000 0.993 294 S CB -0.253 62.784 63.200 -0.272 0.000 0.859 294 S HN 0.560 nan 8.310 nan 0.000 0.453 295 E N 0.092 120.171 120.200 -0.202 0.000 2.077 295 E HA -0.194 4.156 4.350 0.001 0.000 0.193 295 E C 1.860 178.349 176.600 -0.184 0.000 0.989 295 E CA 1.052 57.336 56.400 -0.193 0.000 0.800 295 E CB -0.216 29.354 29.700 -0.215 0.000 0.746 295 E HN 0.517 nan 8.360 nan 0.000 0.452 296 F N 1.526 121.269 119.950 -0.347 0.000 2.113 296 F HA -0.136 4.392 4.527 0.001 0.000 0.297 296 F C 2.160 177.884 175.800 -0.126 0.000 1.103 296 F CA 1.518 59.360 58.000 -0.264 0.000 1.248 296 F CB 0.122 38.942 39.000 -0.300 0.000 0.999 296 F HN -0.009 nan 8.300 nan 0.000 0.475 297 E N 0.289 120.459 120.200 -0.050 0.000 2.057 297 E HA 0.000 4.351 4.350 0.001 0.000 0.190 297 E C 2.263 178.777 176.600 -0.144 0.000 0.969 297 E CA 1.179 57.535 56.400 -0.075 0.000 0.812 297 E CB -0.446 29.315 29.700 0.102 0.000 0.777 297 E HN 0.431 nan 8.360 nan 0.000 0.455 298 L N 0.776 121.916 121.223 -0.138 0.000 2.529 298 L HA 0.139 4.480 4.340 0.001 0.000 0.223 298 L C 0.661 177.446 176.870 -0.143 0.000 1.113 298 L CA -0.140 54.615 54.840 -0.141 0.000 0.861 298 L CB -0.299 41.669 42.059 -0.152 0.000 1.012 298 L HN 0.103 nan 8.230 nan 0.000 0.461 299 N N 1.622 120.224 118.700 -0.163 0.000 2.696 299 N HA -0.153 4.588 4.740 0.001 0.000 0.256 299 N C -0.786 174.652 175.510 -0.121 0.000 1.031 299 N CA 0.811 53.770 53.050 -0.151 0.000 0.730 299 N CB -0.555 37.844 38.487 -0.147 0.000 0.894 299 N HN 0.244 nan 8.380 nan 0.000 0.544 300 V N -1.654 118.184 119.914 -0.126 0.000 2.735 300 V HA 0.920 5.040 4.120 0.001 0.000 0.310 300 V C 1.045 177.069 176.094 -0.115 0.000 1.061 300 V CA -0.293 61.941 62.300 -0.110 0.000 0.913 300 V CB 1.826 33.583 31.823 -0.111 0.000 1.005 300 V HN 0.215 nan 8.190 nan 0.000 0.428 301 G N 2.984 111.725 108.800 -0.098 0.000 2.441 301 G HA2 0.353 4.313 3.960 0.001 0.000 0.243 301 G HA3 0.353 4.313 3.960 0.001 0.000 0.243 301 G C 0.111 174.939 174.900 -0.120 0.000 1.281 301 G CA -0.365 44.677 45.100 -0.097 0.000 0.854 301 G HN 1.256 nan 8.290 nan 0.000 0.560 302 K N 1.842 122.171 120.400 -0.119 0.000 2.440 302 K HA 0.112 4.432 4.320 0.001 0.000 0.270 302 K C 0.062 176.564 176.600 -0.164 0.000 0.980 302 K CA -0.755 55.447 56.287 -0.141 0.000 0.953 302 K CB 0.495 32.926 32.500 -0.115 0.000 0.925 302 K HN 0.082 nan 8.250 nan 0.000 0.497 303 L N 2.489 123.580 121.223 -0.221 0.000 2.540 303 L HA 0.030 4.370 4.340 0.001 0.000 0.276 303 L C 0.485 177.284 176.870 -0.118 0.000 1.212 303 L CA 0.854 55.502 54.840 -0.319 0.000 0.893 303 L CB -0.241 41.481 42.059 -0.561 0.000 1.138 303 L HN 0.707 nan 8.230 nan 0.000 0.491 304 K N 5.009 125.429 120.400 0.033 0.000 2.185 304 K HA 0.543 4.864 4.320 0.001 0.000 0.269 304 K C -0.890 175.894 176.600 0.308 0.000 0.987 304 K CA -0.489 55.828 56.287 0.049 0.000 0.865 304 K CB 1.904 34.431 32.500 0.045 0.000 1.090 304 K HN 0.524 nan 8.250 nan 0.000 0.450 305 Y N -1.631 118.772 120.300 0.173 0.000 2.376 305 Y HA 0.299 4.850 4.550 0.001 0.000 0.321 305 Y C -1.027 174.923 175.900 0.083 0.000 1.189 305 Y CA -1.517 56.665 58.100 0.136 0.000 1.069 305 Y CB 0.362 38.923 38.460 0.168 0.000 1.292 305 Y HN 0.380 nan 8.280 nan 0.000 0.430 306 D N 2.163 122.684 120.400 0.201 0.000 2.399 306 D HA 0.474 5.115 4.640 0.001 0.000 0.241 306 D C 0.737 177.156 176.300 0.199 0.000 1.133 306 D CA 2.008 56.088 54.000 0.133 0.000 0.890 306 D CB 0.948 41.804 40.800 0.093 0.000 1.201 306 D HN 1.170 nan 8.370 nan 0.000 0.432 307 G N 1.090 109.980 108.800 0.150 0.000 2.814 307 G HA2 -0.145 3.816 3.960 0.001 0.000 0.677 307 G HA3 -0.145 3.816 3.960 0.001 0.000 0.677 307 G C -2.569 172.463 174.900 0.220 0.000 1.429 307 G CA -1.331 43.864 45.100 0.160 0.000 0.868 307 G HN 0.451 nan 8.290 nan 0.000 0.553 308 P HA 0.157 nan 4.420 nan 0.000 0.268 308 P C 1.406 178.808 177.300 0.169 0.000 1.208 308 P CA -0.598 62.599 63.100 0.163 0.000 0.777 308 P CB 0.511 32.271 31.700 0.100 0.000 0.875 309 I N 2.250 122.917 120.570 0.163 0.000 2.546 309 I HA -0.150 4.021 4.170 0.001 0.000 0.255 309 I C 1.337 177.396 176.117 -0.098 0.000 1.163 309 I CA 1.912 63.240 61.300 0.047 0.000 1.457 309 I CB -0.719 37.324 38.000 0.073 0.000 1.092 309 I HN 0.304 nan 8.210 nan 0.000 0.434 310 S N -0.144 115.476 115.700 -0.134 0.000 2.607 310 S HA 0.062 4.533 4.470 0.001 0.000 0.224 310 S C 1.310 175.811 174.600 -0.164 0.000 0.969 310 S CA 0.099 58.181 58.200 -0.197 0.000 0.927 310 S CB -0.082 62.959 63.200 -0.264 0.000 0.772 310 S HN 0.337 nan 8.310 nan 0.000 0.533 311 K N 0.449 120.783 120.400 -0.110 0.000 2.438 311 K HA 0.355 4.676 4.320 0.001 0.000 0.206 311 K C 1.316 177.846 176.600 -0.117 0.000 1.081 311 K CA -0.251 55.976 56.287 -0.099 0.000 1.053 311 K CB -0.071 32.410 32.500 -0.032 0.000 0.908 311 K HN 0.295 nan 8.250 nan 0.000 0.556 312 L N 1.226 122.360 121.223 -0.149 0.000 2.083 312 L HA -0.141 4.200 4.340 0.001 0.000 0.209 312 L C 2.474 179.185 176.870 -0.265 0.000 1.083 312 L CA 1.622 56.361 54.840 -0.169 0.000 0.752 312 L CB -0.157 41.783 42.059 -0.199 0.000 0.899 312 L HN 0.213 nan 8.230 nan 0.000 0.433 313 R N 0.248 120.393 120.500 -0.592 0.000 2.073 313 R HA -0.219 4.121 4.340 0.001 0.000 0.234 313 R C 2.248 178.397 176.300 -0.253 0.000 1.134 313 R CA 1.946 57.592 56.100 -0.756 0.000 0.952 313 R CB -0.156 29.510 30.300 -1.056 0.000 0.850 313 R HN 0.647 nan 8.270 nan 0.000 0.433 314 E N 0.037 120.124 120.200 -0.188 0.000 2.047 314 E HA -0.153 4.198 4.350 0.001 0.000 0.191 314 E C 1.818 178.390 176.600 -0.046 0.000 0.987 314 E CA 1.584 57.932 56.400 -0.086 0.000 0.799 314 E CB -0.327 29.336 29.700 -0.061 0.000 0.752 314 E HN 0.391 nan 8.360 nan 0.000 0.449 315 S N 0.205 115.877 115.700 -0.047 0.000 2.428 315 S HA -0.125 4.346 4.470 0.001 0.000 0.230 315 S C 0.995 175.595 174.600 -0.001 0.000 1.014 315 S CA 0.952 59.144 58.200 -0.013 0.000 0.957 315 S CB -0.292 62.909 63.200 0.002 0.000 0.784 315 S HN 0.427 nan 8.310 nan 0.000 0.499 316 N N -0.226 118.468 118.700 -0.010 0.000 2.805 316 N HA 0.055 4.796 4.740 0.001 0.000 0.216 316 N C 0.387 175.916 175.510 0.033 0.000 1.447 316 N CA -0.231 52.824 53.050 0.008 0.000 0.785 316 N CB 0.145 38.623 38.487 -0.016 0.000 1.458 316 N HN 0.352 nan 8.380 nan 0.000 0.547 317 H N 0.546 119.602 119.070 -0.024 0.000 2.460 317 H HA -0.179 4.377 4.556 0.001 0.000 0.297 317 H C 1.654 177.067 175.328 0.142 0.000 1.103 317 H CA 2.019 58.089 56.048 0.037 0.000 1.292 317 H CB 0.658 30.441 29.762 0.035 0.000 1.376 317 H HN 0.540 nan 8.280 nan 0.000 0.531 318 Q N 1.524 121.368 119.800 0.073 0.000 2.050 318 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 318 Q C 2.589 178.600 176.000 0.019 0.000 0.980 318 Q CA 2.103 57.953 55.803 0.078 0.000 0.840 318 Q CB -0.407 28.355 28.738 0.040 0.000 0.898 318 Q HN 0.439 nan 8.270 nan 0.000 0.424 319 R N -1.375 119.055 120.500 -0.116 0.000 2.115 319 R HA -0.144 4.196 4.340 0.001 0.000 0.226 319 R C 2.095 178.158 176.300 -0.395 0.000 1.100 319 R CA 1.079 56.949 56.100 -0.383 0.000 0.980 319 R CB -0.499 29.512 30.300 -0.483 0.000 0.875 319 R HN 0.410 nan 8.270 nan 0.000 0.445 320 Y N 0.898 120.997 120.300 -0.335 0.000 2.070 320 Y HA -0.249 4.301 4.550 0.001 0.000 0.280 320 Y C 1.817 177.568 175.900 -0.248 0.000 1.148 320 Y CA 1.772 59.709 58.100 -0.271 0.000 1.125 320 Y CB -0.151 38.188 38.460 -0.202 0.000 0.975 320 Y HN 0.003 nan 8.280 nan 0.000 0.492 321 I N -0.649 119.756 120.570 -0.276 0.000 2.252 321 I HA -0.257 3.914 4.170 0.001 0.000 0.245 321 I C 2.455 178.278 176.117 -0.490 0.000 1.102 321 I CA 1.538 62.542 61.300 -0.494 0.000 1.385 321 I CB -1.626 35.946 38.000 -0.713 0.000 1.064 321 I HN 0.201 nan 8.210 nan 0.000 0.414 322 S N -0.109 115.438 115.700 -0.255 0.000 2.368 322 S HA -0.171 4.300 4.470 0.001 0.000 0.225 322 S C 2.064 176.728 174.600 0.107 0.000 1.030 322 S CA 1.181 59.386 58.200 0.007 0.000 0.999 322 S CB -0.402 62.931 63.200 0.222 0.000 0.844 322 S HN 0.435 nan 8.310 nan 0.000 0.459 323 Y N 1.636 121.862 120.300 -0.123 0.000 2.314 323 Y HA -0.065 4.486 4.550 0.001 0.000 0.293 323 Y C 2.422 178.224 175.900 -0.164 0.000 1.129 323 Y CA 0.206 58.237 58.100 -0.114 0.000 1.201 323 Y CB -0.145 38.259 38.460 -0.093 0.000 0.999 323 Y HN 0.256 nan 8.280 nan 0.000 0.541 324 N N 0.761 119.402 118.700 -0.097 0.000 2.120 324 N HA -0.160 4.580 4.740 0.001 0.000 0.188 324 N C 1.733 177.205 175.510 -0.063 0.000 1.024 324 N CA 1.290 54.250 53.050 -0.149 0.000 0.852 324 N CB -0.367 37.954 38.487 -0.276 0.000 1.003 324 N HN 0.376 nan 8.380 nan 0.000 0.424 325 I N 1.069 121.578 120.570 -0.102 0.000 2.142 325 I HA -0.227 3.943 4.170 0.001 0.000 0.240 325 I C 2.058 178.142 176.117 -0.055 0.000 1.078 325 I CA 0.986 62.231 61.300 -0.091 0.000 1.343 325 I CB -0.258 37.597 38.000 -0.241 0.000 1.046 325 I HN 0.029 nan 8.210 nan 0.000 0.405 326 I N 0.575 121.120 120.570 -0.042 0.000 2.264 326 I HA -0.310 3.861 4.170 0.001 0.000 0.248 326 I C 2.014 178.139 176.117 0.012 0.000 1.111 326 I CA 1.330 62.630 61.300 -0.001 0.000 1.382 326 I CB -0.462 37.527 38.000 -0.020 0.000 1.060 326 I HN 0.245 nan 8.210 nan 0.000 0.418 327 D N 0.289 120.672 120.400 -0.029 0.000 2.178 327 D HA -0.113 4.528 4.640 0.001 0.000 0.202 327 D C 2.287 178.586 176.300 -0.001 0.000 0.974 327 D CA 0.954 54.916 54.000 -0.064 0.000 0.841 327 D CB 0.033 40.783 40.800 -0.083 0.000 0.953 327 D HN 0.100 nan 8.370 nan 0.000 0.478 328 V N 0.291 120.267 119.914 0.103 0.000 2.379 328 V HA -0.233 3.888 4.120 0.001 0.000 0.245 328 V C 2.122 178.345 176.094 0.215 0.000 1.044 328 V CA 1.147 63.565 62.300 0.196 0.000 1.036 328 V CB -0.612 31.423 31.823 0.352 0.000 0.664 328 V HN 0.201 nan 8.190 nan 0.000 0.453 329 Y N 1.441 121.814 120.300 0.122 0.000 2.207 329 Y HA -0.251 4.300 4.550 0.001 0.000 0.287 329 Y C 2.602 178.477 175.900 -0.042 0.000 1.156 329 Y CA 1.892 60.035 58.100 0.071 0.000 1.182 329 Y CB -0.324 38.103 38.460 -0.056 0.000 0.979 329 Y HN 0.088 nan 8.280 nan 0.000 0.521 330 R N -0.345 120.080 120.500 -0.124 0.000 2.083 330 R HA -0.144 4.197 4.340 0.001 0.000 0.237 330 R C 2.291 178.421 176.300 -0.283 0.000 1.137 330 R CA 1.867 57.811 56.100 -0.260 0.000 0.951 330 R CB -0.886 29.281 30.300 -0.222 0.000 0.851 330 R HN 0.304 nan 8.270 nan 0.000 0.434 331 V N 0.387 120.177 119.914 -0.207 0.000 2.343 331 V HA -0.224 3.896 4.120 0.001 0.000 0.247 331 V C 2.071 177.993 176.094 -0.288 0.000 1.051 331 V CA 1.409 63.573 62.300 -0.227 0.000 1.036 331 V CB -0.509 31.278 31.823 -0.060 0.000 0.654 331 V HN 0.219 nan 8.190 nan 0.000 0.451 332 L N -0.226 120.862 121.223 -0.225 0.000 2.079 332 L HA -0.202 4.138 4.340 0.001 0.000 0.210 332 L C 2.545 179.253 176.870 -0.271 0.000 1.081 332 L CA 1.831 56.532 54.840 -0.232 0.000 0.752 332 L CB -0.982 40.933 42.059 -0.240 0.000 0.896 332 L HN 0.410 nan 8.230 nan 0.000 0.433 333 Q N -1.081 118.481 119.800 -0.398 0.000 2.079 333 Q HA -0.159 4.182 4.340 0.001 0.000 0.200 333 Q C 2.325 178.194 176.000 -0.218 0.000 0.974 333 Q CA 1.405 56.987 55.803 -0.369 0.000 0.840 333 Q CB -0.110 28.336 28.738 -0.486 0.000 0.898 333 Q HN 0.494 nan 8.270 nan 0.000 0.430 334 I N 0.849 121.297 120.570 -0.203 0.000 2.286 334 I HA -0.264 3.907 4.170 0.001 0.000 0.248 334 I C 1.889 177.983 176.117 -0.038 0.000 1.115 334 I CA 1.249 62.494 61.300 -0.091 0.000 1.392 334 I CB -0.221 37.743 38.000 -0.060 0.000 1.065 334 I HN 0.203 nan 8.210 nan 0.000 0.418 335 D N 0.810 121.161 120.400 -0.081 0.000 2.183 335 D HA -0.093 4.548 4.640 0.001 0.000 0.203 335 D C 2.179 178.469 176.300 -0.017 0.000 0.969 335 D CA 1.148 55.185 54.000 0.062 0.000 0.842 335 D CB 0.147 41.020 40.800 0.122 0.000 0.957 335 D HN 0.269 nan 8.370 nan 0.000 0.484 336 A N 0.738 123.521 122.820 -0.062 0.000 1.940 336 A HA -0.219 4.102 4.320 0.001 0.000 0.219 336 A C 2.031 179.577 177.584 -0.063 0.000 1.176 336 A CA 2.259 54.261 52.037 -0.058 0.000 0.631 336 A CB -0.529 18.428 19.000 -0.072 0.000 0.814 336 A HN 0.431 nan 8.150 nan 0.000 0.446 337 K N -2.464 117.889 120.400 -0.078 0.000 2.323 337 K HA 0.160 4.481 4.320 0.001 0.000 0.197 337 K C 1.620 178.147 176.600 -0.121 0.000 1.043 337 K CA 0.337 56.577 56.287 -0.078 0.000 0.997 337 K CB 0.216 32.677 32.500 -0.064 0.000 0.807 337 K HN 0.113 nan 8.250 nan 0.000 0.497 338 R N 0.550 120.926 120.500 -0.206 0.000 2.206 338 R HA 0.171 4.512 4.340 0.001 0.000 0.198 338 R C 0.044 176.041 176.300 -0.505 0.000 0.986 338 R CA 0.271 56.075 56.100 -0.494 0.000 1.029 338 R CB -0.158 29.573 30.300 -0.948 0.000 0.966 338 R HN 0.259 nan 8.270 nan 0.000 0.487 339 Q N 0.036 119.691 119.800 -0.241 0.000 2.475 339 Q HA -0.183 4.157 4.340 0.001 0.000 0.280 339 Q C 0.304 176.321 176.000 0.030 0.000 1.234 339 Q CA 0.586 56.339 55.803 -0.083 0.000 0.873 339 Q CB -2.034 26.662 28.738 -0.071 0.000 1.256 339 Q HN 0.207 nan 8.270 nan 0.000 0.475 340 F N -0.491 119.558 119.950 0.166 0.000 2.259 340 F HA -0.091 4.437 4.527 0.001 0.000 0.298 340 F C 2.285 178.132 175.800 0.077 0.000 1.088 340 F CA 0.353 58.432 58.000 0.132 0.000 1.358 340 F CB -0.241 38.833 39.000 0.123 0.000 1.040 340 F HN 0.205 nan 8.300 nan 0.000 0.505 341 I N 0.183 120.920 120.570 0.278 0.000 2.142 341 I HA -0.299 3.872 4.170 0.001 0.000 0.240 341 I C 1.997 178.163 176.117 0.082 0.000 1.078 341 I CA 1.416 62.815 61.300 0.165 0.000 1.343 341 I CB -1.420 36.692 38.000 0.186 0.000 1.046 341 I HN 0.109 nan 8.210 nan 0.000 0.405 342 N N 0.760 119.502 118.700 0.069 0.000 2.166 342 N HA -0.190 4.550 4.740 0.001 0.000 0.186 342 N C 1.741 177.263 175.510 0.019 0.000 1.019 342 N CA 0.825 53.909 53.050 0.056 0.000 0.856 342 N CB -0.307 38.202 38.487 0.037 0.000 0.993 342 N HN 0.182 nan 8.380 nan 0.000 0.426 343 L N 0.134 121.348 121.223 -0.016 0.000 2.046 343 L HA -0.080 4.261 4.340 0.001 0.000 0.208 343 L C 1.977 178.710 176.870 -0.228 0.000 1.077 343 L CA 1.444 56.187 54.840 -0.161 0.000 0.747 343 L CB -0.570 41.320 42.059 -0.280 0.000 0.896 343 L HN 0.051 nan 8.230 nan 0.000 0.432 344 S N -0.544 115.085 115.700 -0.118 0.000 2.356 344 S HA -0.145 4.325 4.470 0.001 0.000 0.223 344 S C 1.888 176.357 174.600 -0.218 0.000 1.032 344 S CA 1.642 59.770 58.200 -0.120 0.000 1.005 344 S CB -0.419 62.740 63.200 -0.068 0.000 0.867 344 S HN 0.422 nan 8.310 nan 0.000 0.449 345 L N 0.985 122.077 121.223 -0.219 0.000 2.017 345 L HA -0.160 4.181 4.340 0.001 0.000 0.208 345 L C 2.377 178.981 176.870 -0.442 0.000 1.073 345 L CA 1.502 56.096 54.840 -0.409 0.000 0.745 345 L CB -0.648 41.231 42.059 -0.300 0.000 0.894 345 L HN 0.261 nan 8.230 nan 0.000 0.432 346 D N -0.054 120.223 120.400 -0.206 0.000 2.104 346 D HA -0.278 4.362 4.640 0.001 0.000 0.194 346 D C 2.309 178.574 176.300 -0.059 0.000 0.994 346 D CA 1.495 55.480 54.000 -0.026 0.000 0.830 346 D CB 0.026 40.846 40.800 0.033 0.000 0.959 346 D HN 0.142 nan 8.370 nan 0.000 0.452 347 M N -0.600 118.908 119.600 -0.153 0.000 2.132 347 M HA -0.034 4.446 4.480 0.001 0.000 0.263 347 M C 2.096 178.345 176.300 -0.086 0.000 1.065 347 M CA 1.943 57.161 55.300 -0.137 0.000 1.122 347 M CB -0.271 32.205 32.600 -0.208 0.000 1.365 347 M HN 0.148 nan 8.290 nan 0.000 0.411 348 G N -0.719 107.956 108.800 -0.209 0.000 2.446 348 G HA2 -0.257 3.704 3.960 0.001 0.000 0.217 348 G HA3 -0.257 3.704 3.960 0.001 0.000 0.217 348 G C 0.982 175.762 174.900 -0.201 0.000 1.168 348 G CA 0.866 45.812 45.100 -0.256 0.000 0.771 348 G HN 0.478 nan 8.290 nan 0.000 0.551 349 Y N -0.867 119.357 120.300 -0.126 0.000 2.314 349 Y HA 0.005 4.555 4.550 0.001 0.000 0.293 349 Y C 2.392 178.308 175.900 0.026 0.000 1.129 349 Y CA 0.383 58.425 58.100 -0.098 0.000 1.201 349 Y CB -0.739 37.559 38.460 -0.271 0.000 0.999 349 Y HN 0.340 nan 8.280 nan 0.000 0.541 350 Y N 0.168 120.504 120.300 0.061 0.000 2.145 350 Y HA -0.187 4.364 4.550 0.001 0.000 0.286 350 Y C 2.372 178.275 175.900 0.005 0.000 1.145 350 Y CA 1.632 59.749 58.100 0.029 0.000 1.148 350 Y CB -0.423 38.015 38.460 -0.037 0.000 0.981 350 Y HN 0.003 nan 8.280 nan 0.000 0.507 351 A N -0.222 122.636 122.820 0.062 0.000 2.072 351 A HA 0.083 4.404 4.320 0.001 0.000 0.216 351 A C 0.750 178.344 177.584 0.017 0.000 1.156 351 A CA 0.606 52.633 52.037 -0.016 0.000 0.701 351 A CB -0.350 18.661 19.000 0.018 0.000 0.816 351 A HN 0.429 nan 8.150 nan 0.000 0.458 352 K N -0.424 120.020 120.400 0.074 0.000 3.851 352 K HA -0.138 4.182 4.320 0.001 0.000 0.284 352 K C -0.501 176.134 176.600 0.059 0.000 1.048 352 K CA 0.943 57.308 56.287 0.129 0.000 0.862 352 K CB -2.097 30.459 32.500 0.093 0.000 1.439 352 K HN 0.815 nan 8.250 nan 0.000 0.446 353 I N -3.441 117.160 120.570 0.052 0.000 3.264 353 I HA 0.331 4.502 4.170 0.001 0.000 0.315 353 I C -0.177 175.935 176.117 -0.008 0.000 1.154 353 I CA -1.565 59.731 61.300 -0.005 0.000 0.962 353 I CB 1.559 39.559 38.000 0.000 0.000 1.265 353 I HN 0.030 nan 8.210 nan 0.000 0.463 354 Q N 1.437 121.218 119.800 -0.032 0.000 2.364 354 Q HA 0.198 4.538 4.340 0.001 0.000 0.267 354 Q C 0.829 176.804 176.000 -0.042 0.000 0.999 354 Q CA -0.494 55.304 55.803 -0.008 0.000 0.886 354 Q CB 1.363 30.082 28.738 -0.032 0.000 1.243 354 Q HN 0.496 nan 8.270 nan 0.000 0.415 355 I N 2.145 122.675 120.570 -0.065 0.000 2.264 355 I HA -0.316 3.854 4.170 0.001 0.000 0.248 355 I C 2.439 178.463 176.117 -0.155 0.000 1.111 355 I CA 1.580 62.783 61.300 -0.162 0.000 1.382 355 I CB -1.361 36.525 38.000 -0.190 0.000 1.060 355 I HN 0.777 nan 8.210 nan 0.000 0.418 356 Q N 0.387 120.133 119.800 -0.091 0.000 2.439 356 Q HA -0.107 4.234 4.340 0.001 0.000 0.211 356 Q C 1.723 177.692 176.000 -0.051 0.000 0.978 356 Q CA 1.300 57.067 55.803 -0.059 0.000 0.897 356 Q CB -0.838 27.920 28.738 0.033 0.000 0.956 356 Q HN 0.346 nan 8.270 nan 0.000 0.483 357 S N 1.374 117.035 115.700 -0.065 0.000 2.555 357 S HA -0.041 4.430 4.470 0.001 0.000 0.230 357 S C 1.918 176.480 174.600 -0.064 0.000 0.978 357 S CA 0.800 58.979 58.200 -0.035 0.000 0.934 357 S CB -0.299 62.885 63.200 -0.025 0.000 0.766 357 S HN 0.522 nan 8.310 nan 0.000 0.533 358 V N -1.564 118.245 119.914 -0.175 0.000 2.720 358 V HA -0.068 4.053 4.120 0.001 0.000 0.256 358 V C 1.541 177.528 176.094 -0.178 0.000 1.082 358 V CA 1.460 63.648 62.300 -0.187 0.000 1.101 358 V CB -1.170 30.512 31.823 -0.235 0.000 0.693 358 V HN 0.374 nan 8.190 nan 0.000 0.479 359 F N 1.413 121.316 119.950 -0.079 0.000 2.699 359 F HA 0.293 4.820 4.527 0.001 0.000 0.298 359 F C 1.586 177.337 175.800 -0.082 0.000 1.154 359 F CA 0.745 58.669 58.000 -0.126 0.000 1.457 359 F CB -0.349 38.557 39.000 -0.156 0.000 1.106 359 F HN 0.273 nan 8.300 nan 0.000 0.585 360 S N 0.130 115.891 115.700 0.101 0.000 2.667 360 S HA 0.340 4.811 4.470 0.001 0.000 0.304 360 S C -1.850 172.796 174.600 0.078 0.000 1.135 360 S CA -1.594 56.649 58.200 0.071 0.000 1.125 360 S CB 0.990 64.221 63.200 0.050 0.000 0.996 360 S HN -0.191 nan 8.310 nan 0.000 0.474 361 P HA -0.110 nan 4.420 nan 0.000 0.215 361 P C 1.542 178.934 177.300 0.154 0.000 1.153 361 P CA 1.135 64.322 63.100 0.144 0.000 0.853 361 P CB -0.106 31.661 31.700 0.112 0.000 0.788 362 I N -3.596 117.017 120.570 0.072 0.000 2.286 362 I HA -0.173 3.997 4.170 0.001 0.000 0.248 362 I C 2.135 178.444 176.117 0.320 0.000 1.115 362 I CA 1.685 63.068 61.300 0.138 0.000 1.392 362 I CB -0.736 37.403 38.000 0.231 0.000 1.065 362 I HN -0.222 nan 8.210 nan 0.000 0.418 363 K N 1.324 121.842 120.400 0.198 0.000 2.057 363 K HA -0.076 4.244 4.320 0.001 0.000 0.206 363 K C 2.195 178.898 176.600 0.172 0.000 1.050 363 K CA 2.057 58.444 56.287 0.166 0.000 0.935 363 K CB -0.506 32.043 32.500 0.080 0.000 0.715 363 K HN 0.414 nan 8.250 nan 0.000 0.439 364 T N -0.393 114.236 114.554 0.124 0.000 2.708 364 T HA -0.153 4.198 4.350 0.001 0.000 0.266 364 T C 1.695 176.427 174.700 0.052 0.000 1.037 364 T CA 1.460 63.581 62.100 0.034 0.000 1.146 364 T CB -0.324 68.502 68.868 -0.069 0.000 0.865 364 T HN 0.371 nan 8.240 nan 0.000 0.435 365 W N 1.323 122.736 121.300 0.188 0.000 2.402 365 W HA -0.011 4.650 4.660 0.001 0.000 0.286 365 W C 2.263 179.039 176.519 0.429 0.000 1.221 365 W CA 0.511 58.020 57.345 0.272 0.000 1.257 365 W CB -0.260 29.314 29.460 0.189 0.000 1.120 365 W HN 0.271 nan 8.180 nan 0.000 0.551 366 D N -0.089 120.739 120.400 0.712 0.000 2.097 366 D HA -0.194 4.447 4.640 0.001 0.000 0.195 366 D C 2.216 178.776 176.300 0.433 0.000 0.989 366 D CA 2.086 56.434 54.000 0.581 0.000 0.827 366 D CB -0.439 40.610 40.800 0.416 0.000 0.966 366 D HN 0.002 nan 8.370 nan 0.000 0.456 367 A N 0.052 123.067 122.820 0.325 0.000 1.933 367 A HA -0.098 4.223 4.320 0.001 0.000 0.218 367 A C 2.482 180.218 177.584 0.253 0.000 1.175 367 A CA 1.083 53.306 52.037 0.309 0.000 0.628 367 A CB -0.728 18.386 19.000 0.191 0.000 0.814 367 A HN 0.358 nan 8.150 nan 0.000 0.444 368 I N -0.372 120.299 120.570 0.169 0.000 2.142 368 I HA -0.269 3.902 4.170 0.001 0.000 0.240 368 I C 2.334 178.542 176.117 0.153 0.000 1.078 368 I CA 1.509 62.852 61.300 0.071 0.000 1.343 368 I CB -0.336 37.646 38.000 -0.031 0.000 1.046 368 I HN 0.300 nan 8.210 nan 0.000 0.405 369 I N 0.147 120.892 120.570 0.293 0.000 2.226 369 I HA -0.325 3.845 4.170 0.001 0.000 0.245 369 I C 2.543 178.799 176.117 0.232 0.000 1.100 369 I CA 1.547 62.989 61.300 0.237 0.000 1.374 369 I CB -0.402 37.717 38.000 0.198 0.000 1.057 369 I HN 0.198 nan 8.210 nan 0.000 0.413 370 F N 2.134 122.189 119.950 0.175 0.000 2.065 370 F HA -0.309 4.219 4.527 0.001 0.000 0.298 370 F C 2.454 178.311 175.800 0.095 0.000 1.112 370 F CA 1.823 59.908 58.000 0.141 0.000 1.212 370 F CB -0.319 38.765 39.000 0.139 0.000 0.975 370 F HN 0.069 nan 8.300 nan 0.000 0.476 371 N N 0.043 118.525 118.700 -0.362 0.000 2.166 371 N HA -0.201 4.539 4.740 0.001 0.000 0.186 371 N C 2.089 177.447 175.510 -0.253 0.000 1.019 371 N CA 1.435 54.201 53.050 -0.473 0.000 0.856 371 N CB -0.413 37.926 38.487 -0.247 0.000 0.993 371 N HN 0.377 nan 8.380 nan 0.000 0.426 372 S N 0.659 116.291 115.700 -0.114 0.000 2.368 372 S HA -0.028 4.442 4.470 0.001 0.000 0.224 372 S C 1.911 176.486 174.600 -0.042 0.000 1.029 372 S CA 0.528 58.696 58.200 -0.053 0.000 0.988 372 S CB -0.050 63.155 63.200 0.009 0.000 0.838 372 S HN 0.051 nan 8.310 nan 0.000 0.462 373 L N 2.161 123.368 121.223 -0.025 0.000 2.093 373 L HA 0.119 4.459 4.340 0.001 0.000 0.208 373 L C 2.409 179.268 176.870 -0.018 0.000 1.085 373 L CA 1.659 56.502 54.840 0.004 0.000 0.755 373 L CB -0.898 41.198 42.059 0.062 0.000 0.904 373 L HN 0.335 nan 8.230 nan 0.000 0.435 374 K N -0.434 119.904 120.400 -0.104 0.000 2.103 374 K HA -0.186 4.135 4.320 0.001 0.000 0.207 374 K C 1.739 178.320 176.600 -0.032 0.000 1.048 374 K CA 1.129 57.356 56.287 -0.100 0.000 0.930 374 K CB 0.137 32.440 32.500 -0.329 0.000 0.716 374 K HN 0.242 nan 8.250 nan 0.000 0.444 375 E N 0.558 120.727 120.200 -0.051 0.000 2.338 375 E HA -0.160 4.191 4.350 0.001 0.000 0.197 375 E C 1.075 177.679 176.600 0.006 0.000 1.007 375 E CA 1.058 57.448 56.400 -0.017 0.000 0.849 375 E CB 0.124 29.811 29.700 -0.022 0.000 0.774 375 E HN 0.534 nan 8.360 nan 0.000 0.506 376 Q N 0.191 119.998 119.800 0.012 0.000 2.198 376 Q HA 0.147 4.487 4.340 0.001 0.000 0.209 376 Q C -0.273 175.755 176.000 0.047 0.000 0.848 376 Q CA -0.303 55.513 55.803 0.021 0.000 0.974 376 Q CB 0.453 29.200 28.738 0.016 0.000 1.115 376 Q HN 0.051 nan 8.270 nan 0.000 0.494 377 N N 1.436 120.176 118.700 0.066 0.000 2.725 377 N HA -0.162 4.579 4.740 0.001 0.000 0.249 377 N C -1.017 174.594 175.510 0.168 0.000 1.103 377 N CA 1.160 54.284 53.050 0.124 0.000 0.707 377 N CB -0.721 37.763 38.487 -0.006 0.000 1.043 377 N HN 0.372 nan 8.380 nan 0.000 0.553 378 K N 0.295 120.759 120.400 0.106 0.000 2.130 378 K HA 0.536 4.857 4.320 0.001 0.000 0.268 378 K C 0.150 176.759 176.600 0.015 0.000 0.983 378 K CA -0.591 55.753 56.287 0.096 0.000 0.893 378 K CB 1.906 34.451 32.500 0.074 0.000 1.066 378 K HN -0.173 nan 8.250 nan 0.000 0.450 379 V N 4.472 124.357 119.914 -0.048 0.000 2.435 379 V HA 0.293 4.413 4.120 0.001 0.000 0.290 379 V C 0.368 176.467 176.094 0.008 0.000 1.030 379 V CA -1.016 61.175 62.300 -0.183 0.000 0.881 379 V CB 1.110 32.652 31.823 -0.468 0.000 0.983 379 V HN 0.678 nan 8.190 nan 0.000 0.445 380 I N 3.872 124.493 120.570 0.085 0.000 2.696 380 I HA 0.447 4.618 4.170 0.001 0.000 0.284 380 I C -2.085 174.072 176.117 0.066 0.000 1.129 380 I CA -1.708 59.675 61.300 0.137 0.000 1.410 380 I CB 1.036 39.157 38.000 0.202 0.000 1.399 380 I HN 0.401 nan 8.210 nan 0.000 0.579 381 P HA 0.022 nan 4.420 nan 0.000 0.272 381 P C -1.051 176.224 177.300 -0.040 0.000 1.223 381 P CA -0.186 62.937 63.100 0.037 0.000 0.784 381 P CB 0.839 32.582 31.700 0.071 0.000 0.923 382 Q N 1.360 121.156 119.800 -0.007 0.000 2.373 382 Q HA 0.325 4.666 4.340 0.001 0.000 0.255 382 Q C 0.307 176.269 176.000 -0.063 0.000 0.980 382 Q CA -0.379 55.405 55.803 -0.032 0.000 0.882 382 Q CB 0.248 28.976 28.738 -0.017 0.000 1.249 382 Q HN 0.601 nan 8.270 nan 0.000 0.438 383 G N 3.410 112.165 108.800 -0.075 0.000 2.406 383 G HA2 0.253 4.213 3.960 0.001 0.000 0.251 383 G HA3 0.253 4.213 3.960 0.001 0.000 0.251 383 G C -0.717 174.150 174.900 -0.054 0.000 1.271 383 G CA -0.451 44.607 45.100 -0.069 0.000 0.859 383 G HN 0.616 nan 8.290 nan 0.000 0.540 384 R N 0.743 121.219 120.500 -0.041 0.000 2.637 384 R HA 0.416 4.756 4.340 0.001 0.000 0.291 384 R C 0.192 176.320 176.300 -0.287 0.000 0.963 384 R CA -0.572 55.439 56.100 -0.148 0.000 0.901 384 R CB 1.943 32.145 30.300 -0.163 0.000 1.160 384 R HN 0.706 nan 8.270 nan 0.000 0.457 385 S N 1.464 116.941 115.700 -0.373 0.000 2.564 385 S HA 0.259 4.730 4.470 0.001 0.000 0.278 385 S C -0.487 173.734 174.600 -0.632 0.000 1.333 385 S CA -0.378 57.558 58.200 -0.441 0.000 1.048 385 S CB 0.651 63.650 63.200 -0.335 0.000 0.900 385 S HN 0.610 nan 8.310 nan 0.000 0.505 386 H N 0.949 119.826 119.070 -0.322 0.000 2.930 386 H HA 0.598 5.154 4.556 0.001 0.000 0.371 386 H C -2.464 172.714 175.328 -0.249 0.000 1.169 386 H CA -1.325 54.598 56.048 -0.208 0.000 1.157 386 H CB 1.375 31.066 29.762 -0.118 0.000 1.789 386 H HN 0.590 nan 8.280 nan 0.000 0.547 387 P HA 0.089 nan 4.420 nan 0.000 0.277 387 P C -0.477 176.808 177.300 -0.024 0.000 1.240 387 P CA -0.541 62.533 63.100 -0.042 0.000 0.798 387 P CB 1.274 32.970 31.700 -0.007 0.000 0.979 388 V N 3.117 123.016 119.914 -0.026 0.000 2.364 388 V HA 0.045 4.166 4.120 0.001 0.000 0.252 388 V C 0.646 176.781 176.094 0.068 0.000 1.075 388 V CA 0.375 62.682 62.300 0.011 0.000 1.033 388 V CB -0.505 31.331 31.823 0.023 0.000 1.116 388 V HN 0.577 nan 8.190 nan 0.000 0.488 389 Q N 8.220 128.093 119.800 0.121 0.000 2.347 389 Q HA 0.481 4.821 4.340 0.001 0.000 0.262 389 Q C -2.687 173.449 176.000 0.228 0.000 0.980 389 Q CA -1.917 53.972 55.803 0.143 0.000 0.867 389 Q CB 1.692 30.508 28.738 0.130 0.000 1.242 389 Q HN 0.437 nan 8.270 nan 0.000 0.453 390 P HA 0.105 nan 4.420 nan 0.000 0.267 390 P C -1.506 175.917 177.300 0.205 0.000 1.205 390 P CA 0.205 63.386 63.100 0.135 0.000 0.765 390 P CB 0.025 31.762 31.700 0.062 0.000 0.828 391 Y N 1.677 122.022 120.300 0.075 0.000 2.605 391 Y HA 0.718 5.268 4.550 0.001 0.000 0.343 391 Y C -2.529 173.420 175.900 0.082 0.000 1.036 391 Y CA -3.637 54.504 58.100 0.068 0.000 1.065 391 Y CB -0.772 37.725 38.460 0.061 0.000 1.288 391 Y HN 0.240 nan 8.280 nan 0.000 0.481 392 P HA 0.138 nan 4.420 nan 0.000 0.263 392 P C 0.047 177.352 177.300 0.009 0.000 1.168 392 P CA 0.618 63.767 63.100 0.082 0.000 0.759 392 P CB 0.785 32.571 31.700 0.143 0.000 0.782 393 G N 1.158 109.967 108.800 0.014 0.000 2.782 393 G HA2 0.584 4.545 3.960 0.001 0.000 0.201 393 G HA3 0.584 4.545 3.960 0.001 0.000 0.201 393 G C -0.497 174.485 174.900 0.138 0.000 1.374 393 G CA -0.245 44.875 45.100 0.034 0.000 1.039 393 G HN 0.733 nan 8.290 nan 0.000 0.576 394 A N -1.050 121.866 122.820 0.160 0.000 2.346 394 A HA 0.526 4.846 4.320 0.001 0.000 0.252 394 A C -0.697 177.006 177.584 0.199 0.000 1.089 394 A CA -0.327 51.830 52.037 0.199 0.000 0.797 394 A CB 0.270 19.355 19.000 0.141 0.000 1.047 394 A HN 0.733 nan 8.150 nan 0.000 0.494 395 F N 1.784 121.780 119.950 0.077 0.000 2.404 395 F HA 0.541 5.069 4.527 0.001 0.000 0.345 395 F C -0.484 175.332 175.800 0.026 0.000 1.110 395 F CA -0.563 57.472 58.000 0.058 0.000 1.130 395 F CB 1.104 40.140 39.000 0.060 0.000 1.129 395 F HN 0.212 nan 8.300 nan 0.000 0.500 396 V N 6.910 126.321 119.914 -0.838 0.000 2.482 396 V HA 0.240 4.361 4.120 0.001 0.000 0.295 396 V C -0.350 175.194 176.094 -0.917 0.000 1.026 396 V CA -1.236 60.643 62.300 -0.701 0.000 0.856 396 V CB 1.482 33.175 31.823 -0.218 0.000 1.001 396 V HN 0.746 nan 8.190 nan 0.000 0.424 397 K N 2.897 122.751 120.400 -0.910 0.000 2.350 397 K HA 0.227 4.548 4.320 0.001 0.000 0.279 397 K C 0.081 176.664 176.600 -0.028 0.000 1.027 397 K CA -0.328 55.703 56.287 -0.427 0.000 0.969 397 K CB 0.822 33.225 32.500 -0.161 0.000 0.954 397 K HN 0.724 nan 8.250 nan 0.000 0.474 398 E N 6.353 126.570 120.200 0.027 0.000 2.104 398 E HA 0.117 4.467 4.350 0.001 0.000 0.278 398 E C -2.188 174.466 176.600 0.090 0.000 1.127 398 E CA -1.910 54.541 56.400 0.085 0.000 0.897 398 E CB 0.540 30.286 29.700 0.076 0.000 1.043 398 E HN 0.317 nan 8.360 nan 0.000 0.410 399 P HA 0.176 nan 4.420 nan 0.000 0.277 399 P C -0.390 176.942 177.300 0.053 0.000 1.240 399 P CA -0.318 62.777 63.100 -0.009 0.000 0.798 399 P CB 0.903 32.479 31.700 -0.207 0.000 0.979 400 I N 3.420 124.034 120.570 0.072 0.000 2.379 400 I HA 0.135 4.305 4.170 0.001 0.000 0.290 400 I C -1.935 174.311 176.117 0.216 0.000 1.063 400 I CA -2.160 59.219 61.300 0.132 0.000 1.351 400 I CB 0.381 38.462 38.000 0.135 0.000 1.410 400 I HN 0.121 nan 8.210 nan 0.000 0.505 401 P HA 0.066 nan 4.420 nan 0.000 0.262 401 P C -0.592 176.836 177.300 0.213 0.000 1.199 401 P CA 0.473 63.714 63.100 0.235 0.000 0.763 401 P CB 0.372 32.169 31.700 0.161 0.000 0.790 402 N N 1.477 120.362 118.700 0.308 0.000 3.836 402 N HA 0.147 4.887 4.740 0.001 0.000 0.229 402 N C -1.456 174.143 175.510 0.149 0.000 1.375 402 N CA -0.855 52.247 53.050 0.087 0.000 0.838 402 N CB 1.101 39.472 38.487 -0.193 0.000 1.447 402 N HN 0.222 nan 8.380 nan 0.000 0.458 403 R N 0.184 120.646 120.500 -0.063 0.000 2.500 403 R HA 0.606 4.947 4.340 0.001 0.000 0.277 403 R C -1.069 175.096 176.300 -0.224 0.000 1.026 403 R CA -0.236 55.908 56.100 0.073 0.000 1.058 403 R CB 0.709 31.025 30.300 0.026 0.000 1.078 403 R HN 0.494 nan 8.270 nan 0.000 0.509 404 Y N 0.774 121.190 120.300 0.194 0.000 2.344 404 Y HA 0.208 4.758 4.550 0.001 0.000 0.328 404 Y C 0.801 176.761 175.900 0.100 0.000 1.067 404 Y CA -0.923 57.265 58.100 0.145 0.000 1.247 404 Y CB 1.919 40.495 38.460 0.192 0.000 1.113 404 Y HN 0.782 nan 8.280 nan 0.000 0.465 405 K N 2.190 122.639 120.400 0.082 0.000 1.991 405 K HA -0.080 4.240 4.320 0.001 0.000 0.212 405 K C -0.666 175.758 176.600 -0.293 0.000 1.049 405 K CA 1.721 57.921 56.287 -0.145 0.000 0.932 405 K CB 0.069 32.411 32.500 -0.263 0.000 0.717 405 K HN 0.583 nan 8.250 nan 0.000 0.441 406 Y N -0.046 120.290 120.300 0.060 0.000 2.341 406 Y HA 0.434 4.985 4.550 0.001 0.000 0.338 406 Y C -0.936 175.060 175.900 0.159 0.000 0.965 406 Y CA -1.130 56.989 58.100 0.032 0.000 1.108 406 Y CB 2.060 40.440 38.460 -0.134 0.000 1.180 406 Y HN -0.291 nan 8.280 nan 0.000 0.458 407 V N 4.905 125.033 119.914 0.356 0.000 2.789 407 V HA 0.505 4.625 4.120 0.001 0.000 0.311 407 V C -0.692 175.580 176.094 0.297 0.000 1.073 407 V CA -0.978 61.522 62.300 0.333 0.000 0.921 407 V CB 2.139 34.198 31.823 0.393 0.000 1.009 407 V HN 0.822 nan 8.190 nan 0.000 0.426 408 M N 4.083 123.822 119.600 0.231 0.000 2.263 408 M HA 0.641 5.121 4.480 0.001 0.000 0.295 408 M C -0.415 175.870 176.300 -0.024 0.000 1.028 408 M CA -0.150 55.200 55.300 0.085 0.000 0.921 408 M CB 2.042 34.692 32.600 0.083 0.000 1.601 408 M HN 0.835 nan 8.290 nan 0.000 0.440 409 S N 3.356 118.904 115.700 -0.253 0.000 2.578 409 S HA 0.855 5.326 4.470 0.001 0.000 0.301 409 S C -1.055 173.235 174.600 -0.518 0.000 1.091 409 S CA -0.574 57.386 58.200 -0.400 0.000 1.032 409 S CB 1.177 63.934 63.200 -0.740 0.000 1.064 409 S HN 0.535 nan 8.310 nan 0.000 0.508 410 F N 0.943 120.795 119.950 -0.163 0.000 2.576 410 F HA 0.635 5.162 4.527 0.001 0.000 0.313 410 F C -0.205 175.561 175.800 -0.056 0.000 1.078 410 F CA -0.608 57.358 58.000 -0.058 0.000 0.921 410 F CB 2.174 41.176 39.000 0.004 0.000 1.232 410 F HN 0.818 nan 8.300 nan 0.000 0.459 411 D N 1.404 121.899 120.400 0.159 0.000 2.661 411 D HA 0.329 4.969 4.640 0.001 0.000 0.228 411 D C -1.638 174.723 176.300 0.102 0.000 1.210 411 D CA -0.491 53.568 54.000 0.099 0.000 0.826 411 D CB 1.936 42.756 40.800 0.033 0.000 1.542 411 D HN 0.190 nan 8.370 nan 0.000 0.447 412 L N 1.013 122.273 121.223 0.061 0.000 2.395 412 L HA 0.310 4.650 4.340 0.001 0.000 0.269 412 L C 0.865 177.729 176.870 -0.011 0.000 1.133 412 L CA -0.012 54.836 54.840 0.013 0.000 0.812 412 L CB 0.991 43.014 42.059 -0.060 0.000 1.125 412 L HN 0.525 nan 8.230 nan 0.000 0.452 413 T N 1.092 115.644 114.554 -0.003 0.000 2.851 413 T HA 0.093 4.443 4.350 0.001 0.000 0.298 413 T C 0.729 175.394 174.700 -0.059 0.000 0.977 413 T CA -0.284 61.818 62.100 0.003 0.000 1.126 413 T CB 0.376 69.293 68.868 0.082 0.000 0.916 413 T HN 0.618 nan 8.240 nan 0.000 0.529 414 S N 2.303 117.973 115.700 -0.050 0.000 3.244 414 S HA -0.151 4.320 4.470 0.001 0.000 0.291 414 S C 1.310 175.842 174.600 -0.112 0.000 0.833 414 S CA -0.250 57.910 58.200 -0.066 0.000 1.348 414 S CB -1.112 62.068 63.200 -0.034 0.000 0.910 414 S HN 0.648 nan 8.310 nan 0.000 0.461 415 L N 2.456 123.587 121.223 -0.153 0.000 1.951 415 L HA -0.186 4.154 4.340 0.001 0.000 0.222 415 L C 1.949 178.781 176.870 -0.062 0.000 1.078 415 L CA 2.216 56.956 54.840 -0.167 0.000 0.778 415 L CB -0.820 41.086 42.059 -0.255 0.000 0.893 415 L HN 0.614 nan 8.230 nan 0.000 0.436 416 Y N 0.191 120.399 120.300 -0.153 0.000 2.128 416 Y HA -0.107 4.443 4.550 0.001 0.000 0.284 416 Y C -0.173 175.627 175.900 -0.166 0.000 1.154 416 Y CA 1.077 59.062 58.100 -0.192 0.000 1.149 416 Y CB -2.746 35.545 38.460 -0.282 0.000 0.976 416 Y HN 0.356 nan 8.280 nan 0.000 0.505 417 P HA -0.064 nan 4.420 nan 0.000 0.221 417 P C 1.623 178.834 177.300 -0.149 0.000 1.150 417 P CA 1.593 64.660 63.100 -0.056 0.000 0.800 417 P CB 0.075 31.759 31.700 -0.027 0.000 0.787 418 S N -0.087 115.506 115.700 -0.178 0.000 2.368 418 S HA -0.045 4.426 4.470 0.001 0.000 0.224 418 S C 2.005 176.416 174.600 -0.315 0.000 1.029 418 S CA 0.797 58.828 58.200 -0.282 0.000 0.988 418 S CB -0.896 62.106 63.200 -0.330 0.000 0.838 418 S HN 0.117 nan 8.310 nan 0.000 0.462 419 I N 1.409 121.815 120.570 -0.273 0.000 2.208 419 I HA -0.204 3.967 4.170 0.001 0.000 0.245 419 I C 1.993 177.837 176.117 -0.454 0.000 1.097 419 I CA 1.220 62.270 61.300 -0.416 0.000 1.363 419 I CB -0.414 37.413 38.000 -0.288 0.000 1.051 419 I HN 0.263 nan 8.210 nan 0.000 0.413 420 I N 0.406 120.783 120.570 -0.320 0.000 2.208 420 I HA -0.308 3.863 4.170 0.001 0.000 0.245 420 I C 2.709 178.634 176.117 -0.320 0.000 1.097 420 I CA 1.526 62.635 61.300 -0.317 0.000 1.363 420 I CB -0.388 37.476 38.000 -0.225 0.000 1.051 420 I HN 0.179 nan 8.210 nan 0.000 0.413 421 R N 0.143 120.473 120.500 -0.283 0.000 2.073 421 R HA -0.180 4.160 4.340 0.001 0.000 0.229 421 R C 2.296 178.434 176.300 -0.270 0.000 1.120 421 R CA 1.277 57.227 56.100 -0.251 0.000 0.967 421 R CB -0.347 29.808 30.300 -0.242 0.000 0.862 421 R HN 0.429 nan 8.270 nan 0.000 0.436 422 Q N 0.818 120.418 119.800 -0.335 0.000 2.050 422 Q HA -0.121 4.219 4.340 0.001 0.000 0.202 422 Q C 1.738 177.544 176.000 -0.324 0.000 0.980 422 Q CA 1.680 57.288 55.803 -0.325 0.000 0.840 422 Q CB 0.172 28.678 28.738 -0.387 0.000 0.898 422 Q HN 0.148 nan 8.270 nan 0.000 0.424 423 V N 0.923 120.560 119.914 -0.461 0.000 3.129 423 V HA -0.043 4.078 4.120 0.001 0.000 0.259 423 V C 0.448 176.320 176.094 -0.370 0.000 1.116 423 V CA 0.860 62.904 62.300 -0.427 0.000 1.127 423 V CB -0.867 30.593 31.823 -0.604 0.000 0.742 423 V HN 0.715 nan 8.190 nan 0.000 0.474 424 N N 0.143 118.624 118.700 -0.364 0.000 2.806 424 N HA -0.193 4.548 4.740 0.001 0.000 0.248 424 N C -0.538 174.703 175.510 -0.449 0.000 1.081 424 N CA 0.231 53.111 53.050 -0.282 0.000 0.680 424 N CB -1.457 36.959 38.487 -0.119 0.000 0.941 424 N HN 0.541 nan 8.380 nan 0.000 0.554 425 I N 0.395 120.598 120.570 -0.612 0.000 2.352 425 I HA 0.333 4.504 4.170 0.001 0.000 0.290 425 I C 0.696 176.616 176.117 -0.329 0.000 1.036 425 I CA -0.032 60.804 61.300 -0.772 0.000 1.336 425 I CB 1.250 38.819 38.000 -0.718 0.000 1.407 425 I HN 0.291 nan 8.210 nan 0.000 0.497 426 S N 6.468 122.080 115.700 -0.145 0.000 2.552 426 S HA 0.397 4.868 4.470 0.001 0.000 0.272 426 S C -2.225 172.414 174.600 0.065 0.000 1.150 426 S CA -0.974 57.199 58.200 -0.046 0.000 0.849 426 S CB 1.873 65.038 63.200 -0.060 0.000 1.113 426 S HN 0.235 nan 8.310 nan 0.000 0.458 427 P HA -0.130 nan 4.420 nan 0.000 0.216 427 P C 0.989 178.406 177.300 0.195 0.000 1.150 427 P CA 1.176 64.356 63.100 0.133 0.000 0.843 427 P CB 0.097 31.896 31.700 0.165 0.000 0.787 428 E N -0.676 119.572 120.200 0.080 0.000 2.465 428 E HA -0.004 4.346 4.350 0.001 0.000 0.191 428 E C 0.664 177.389 176.600 0.209 0.000 1.053 428 E CA 0.838 57.308 56.400 0.117 0.000 0.869 428 E CB -1.054 28.519 29.700 -0.211 0.000 0.977 428 E HN 0.261 nan 8.360 nan 0.000 0.483 429 T N -1.390 113.293 114.554 0.216 0.000 3.054 429 T HA 0.340 4.691 4.350 0.001 0.000 0.255 429 T C 1.002 175.801 174.700 0.164 0.000 1.035 429 T CA -0.476 61.811 62.100 0.312 0.000 0.941 429 T CB -0.374 68.649 68.868 0.258 0.000 1.026 429 T HN 0.031 nan 8.240 nan 0.000 0.533 430 I N 2.156 122.757 120.570 0.052 0.000 2.662 430 I HA 0.242 4.413 4.170 0.001 0.000 0.285 430 I C 1.351 177.163 176.117 -0.508 0.000 1.161 430 I CA -0.206 60.899 61.300 -0.324 0.000 1.415 430 I CB 0.827 38.691 38.000 -0.226 0.000 1.385 430 I HN 0.308 nan 8.210 nan 0.000 0.552 431 A N 4.996 127.278 122.820 -0.897 0.000 2.343 431 A HA 0.644 4.964 4.320 0.001 0.000 0.223 431 A C 0.824 177.921 177.584 -0.810 0.000 1.214 431 A CA 0.488 51.800 52.037 -1.208 0.000 0.900 431 A CB 0.220 17.951 19.000 -2.116 0.000 0.942 431 A HN 0.949 nan 8.150 nan 0.000 0.507 432 G N -1.516 106.920 108.800 -0.606 0.000 2.340 432 G HA2 0.461 4.421 3.960 0.001 0.000 0.282 432 G HA3 0.461 4.421 3.960 0.001 0.000 0.282 432 G C -0.412 174.291 174.900 -0.328 0.000 1.312 432 G CA 0.206 45.077 45.100 -0.382 0.000 0.942 432 G HN 1.175 nan 8.290 nan 0.000 0.495 433 T N -2.151 112.283 114.554 -0.200 0.000 2.838 433 T HA 0.910 5.261 4.350 0.001 0.000 0.292 433 T C -0.787 173.895 174.700 -0.030 0.000 1.113 433 T CA -0.141 61.838 62.100 -0.201 0.000 1.008 433 T CB 2.189 70.907 68.868 -0.250 0.000 1.259 433 T HN 2.032 nan 8.240 nan 0.000 0.520 434 F N -1.484 118.416 119.950 -0.083 0.000 2.613 434 F HA 0.767 5.295 4.527 0.002 0.000 0.310 434 F C -0.677 175.114 175.800 -0.015 0.000 1.085 434 F CA -1.572 56.406 58.000 -0.037 0.000 0.945 434 F CB 1.183 40.169 39.000 -0.023 0.000 1.298 434 F HN 0.339 nan 8.300 nan 0.000 0.455 435 K N 2.316 122.847 120.400 0.218 0.000 2.453 435 K HA 0.207 4.528 4.320 0.001 0.000 0.280 435 K C -0.570 176.177 176.600 0.244 0.000 1.045 435 K CA -0.054 56.314 56.287 0.134 0.000 1.059 435 K CB 1.333 33.913 32.500 0.133 0.000 0.901 435 K HN 0.688 nan 8.250 nan 0.000 0.475 436 V N 2.700 122.653 119.914 0.066 0.000 2.439 436 V HA 0.470 4.591 4.120 0.001 0.000 0.282 436 V C 0.019 176.243 176.094 0.218 0.000 1.039 436 V CA -0.483 61.919 62.300 0.171 0.000 0.913 436 V CB 1.346 33.124 31.823 -0.075 0.000 0.983 436 V HN 0.882 nan 8.190 nan 0.000 0.460 437 A N 7.767 130.802 122.820 0.359 0.000 2.242 437 A HA 0.860 5.181 4.320 0.001 0.000 0.304 437 A C -2.534 175.112 177.584 0.104 0.000 1.100 437 A CA -1.711 50.391 52.037 0.109 0.000 0.860 437 A CB 0.252 19.166 19.000 -0.144 0.000 1.168 437 A HN 0.756 nan 8.150 nan 0.000 0.503 438 P HA 0.070 nan 4.420 nan 0.000 0.268 438 P C 0.846 178.042 177.300 -0.174 0.000 1.208 438 P CA -0.315 62.652 63.100 -0.221 0.000 0.777 438 P CB 0.403 31.773 31.700 -0.551 0.000 0.875 439 L N 3.521 124.718 121.223 -0.044 0.000 2.079 439 L HA -0.217 4.124 4.340 0.001 0.000 0.210 439 L C 2.111 179.033 176.870 0.087 0.000 1.081 439 L CA 2.117 57.028 54.840 0.118 0.000 0.752 439 L CB -1.382 40.734 42.059 0.095 0.000 0.896 439 L HN 0.542 nan 8.230 nan 0.000 0.433 440 H N -3.140 115.992 119.070 0.104 0.000 2.489 440 H HA -0.062 4.495 4.556 0.001 0.000 0.293 440 H C 1.512 176.863 175.328 0.039 0.000 1.066 440 H CA 1.311 57.394 56.048 0.059 0.000 1.305 440 H CB -0.868 28.913 29.762 0.030 0.000 1.386 440 H HN 0.351 nan 8.280 nan 0.000 0.551 441 D N 0.108 120.470 120.400 -0.064 0.000 2.183 441 D HA -0.105 4.536 4.640 0.001 0.000 0.203 441 D C 1.274 177.522 176.300 -0.086 0.000 0.969 441 D CA 0.916 54.876 54.000 -0.066 0.000 0.842 441 D CB -0.243 40.398 40.800 -0.265 0.000 0.957 441 D HN 0.477 nan 8.370 nan 0.000 0.484 442 Y N 0.679 121.090 120.300 0.184 0.000 2.286 442 Y HA 0.096 4.646 4.550 0.000 0.000 0.293 442 Y C 2.360 178.509 175.900 0.417 0.000 1.124 442 Y CA 0.198 58.508 58.100 0.351 0.000 1.178 442 Y CB -0.276 38.321 38.460 0.228 0.000 1.010 442 Y HN -0.084 nan 8.280 nan 0.000 0.536 443 I N 0.227 121.030 120.570 0.388 0.000 2.226 443 I HA -0.322 3.849 4.170 0.001 0.000 0.245 443 I C 1.277 177.465 176.117 0.119 0.000 1.100 443 I CA 1.395 62.884 61.300 0.315 0.000 1.374 443 I CB -0.279 37.812 38.000 0.152 0.000 1.057 443 I HN 0.276 nan 8.210 nan 0.000 0.413 444 N N 0.853 119.580 118.700 0.046 0.000 2.336 444 N HA 0.145 4.886 4.740 0.001 0.000 0.189 444 N C 0.939 176.345 175.510 -0.173 0.000 1.113 444 N CA 0.850 53.832 53.050 -0.113 0.000 0.858 444 N CB 0.542 38.996 38.487 -0.055 0.000 0.970 444 N HN 0.289 nan 8.380 nan 0.000 0.471 445 A N -0.292 122.500 122.820 -0.045 0.000 2.872 445 A HA -0.178 4.143 4.320 0.001 0.000 0.273 445 A C 1.270 178.786 177.584 -0.114 0.000 1.442 445 A CA 0.844 52.778 52.037 -0.171 0.000 0.801 445 A CB -2.140 16.593 19.000 -0.446 0.000 1.031 445 A HN 0.117 nan 8.150 nan 0.000 0.582 446 V N -0.885 119.010 119.914 -0.031 0.000 3.174 446 V HA 0.286 4.407 4.120 0.001 0.000 0.254 446 V C 1.732 177.818 176.094 -0.014 0.000 1.120 446 V CA 1.188 63.470 62.300 -0.029 0.000 1.114 446 V CB -0.216 31.592 31.823 -0.025 0.000 0.756 446 V HN 1.381 nan 8.190 nan 0.000 0.467 447 A N 1.303 124.095 122.820 -0.047 0.000 2.386 447 A HA 0.322 4.643 4.320 0.001 0.000 0.248 447 A C 0.553 178.179 177.584 0.071 0.000 1.082 447 A CA -0.363 51.591 52.037 -0.138 0.000 0.789 447 A CB 0.007 18.582 19.000 -0.708 0.000 1.025 447 A HN 0.628 nan 8.150 nan 0.000 0.490 448 E N 1.547 121.770 120.200 0.038 0.000 2.392 448 E HA 0.163 4.514 4.350 0.001 0.000 0.264 448 E C 0.064 176.704 176.600 0.067 0.000 1.024 448 E CA -0.558 55.889 56.400 0.077 0.000 0.903 448 E CB 0.512 30.235 29.700 0.038 0.000 0.963 448 E HN 0.551 nan 8.360 nan 0.000 0.432 449 R N 3.672 124.224 120.500 0.086 0.000 2.486 449 R HA -0.019 4.322 4.340 0.001 0.000 0.303 449 R C -1.670 174.497 176.300 -0.221 0.000 0.958 449 R CA -0.720 55.340 56.100 -0.067 0.000 1.077 449 R CB 0.240 30.560 30.300 0.033 0.000 0.921 449 R HN 0.489 nan 8.270 nan 0.000 0.406 450 P HA -0.143 nan 4.420 nan 0.000 0.215 450 P C -0.354 176.649 177.300 -0.496 0.000 1.157 450 P CA 1.177 63.769 63.100 -0.847 0.000 0.874 450 P CB 0.247 31.081 31.700 -1.444 0.000 0.790 451 S N -2.896 112.619 115.700 -0.308 0.000 2.547 451 S HA 0.307 4.778 4.470 0.001 0.000 0.270 451 S C -0.634 173.904 174.600 -0.103 0.000 1.150 451 S CA -0.588 57.528 58.200 -0.140 0.000 0.850 451 S CB 1.164 64.341 63.200 -0.038 0.000 1.118 451 S HN -0.145 nan 8.310 nan 0.000 0.461 452 D N 1.584 121.930 120.400 -0.090 0.000 2.369 452 D HA 0.176 4.817 4.640 0.001 0.000 0.211 452 D C 1.289 177.520 176.300 -0.115 0.000 1.077 452 D CA 1.062 55.014 54.000 -0.080 0.000 0.842 452 D CB 0.559 41.323 40.800 -0.060 0.000 0.947 452 D HN 0.408 nan 8.370 nan 0.000 0.509 453 V N -2.553 117.244 119.914 -0.196 0.000 3.473 453 V HA 0.412 4.532 4.120 0.001 0.000 0.253 453 V C -0.148 175.741 176.094 -0.342 0.000 1.340 453 V CA -0.157 61.946 62.300 -0.328 0.000 1.103 453 V CB -0.399 31.096 31.823 -0.548 0.000 0.881 453 V HN -0.164 nan 8.190 nan 0.000 0.451 454 Y N 1.149 121.439 120.300 -0.017 0.000 2.528 454 Y HA 0.744 5.295 4.550 0.002 0.000 0.335 454 Y C 0.712 176.602 175.900 -0.016 0.000 1.093 454 Y CA -0.906 57.182 58.100 -0.020 0.000 1.134 454 Y CB 1.622 40.040 38.460 -0.070 0.000 1.253 454 Y HN 0.070 nan 8.280 nan 0.000 0.478 455 S N 1.207 117.033 115.700 0.210 0.000 2.499 455 S HA 0.514 4.985 4.470 0.001 0.000 0.275 455 S C -0.678 174.024 174.600 0.170 0.000 1.257 455 S CA -0.407 57.871 58.200 0.131 0.000 1.050 455 S CB -0.522 62.738 63.200 0.101 0.000 0.937 455 S HN 0.673 nan 8.310 nan 0.000 0.490 456 C N 3.142 122.510 119.300 0.113 0.000 2.595 456 C HA 0.879 5.340 4.460 0.001 0.000 0.338 456 C C 0.343 175.459 174.990 0.211 0.000 1.219 456 C CA -0.799 58.318 59.018 0.166 0.000 1.811 456 C CB 1.464 29.213 27.740 0.015 0.000 2.313 456 C HN 0.840 nan 8.230 nan 0.000 0.499 457 S N 0.084 115.948 115.700 0.272 0.000 2.526 457 S HA 0.530 5.000 4.470 0.001 0.000 0.293 457 S C -2.287 172.388 174.600 0.124 0.000 1.092 457 S CA -1.060 57.301 58.200 0.268 0.000 0.980 457 S CB 1.587 64.925 63.200 0.230 0.000 1.048 457 S HN 0.525 nan 8.310 nan 0.000 0.483 458 P HA -0.048 nan 4.420 nan 0.000 0.226 458 P C 0.538 177.713 177.300 -0.209 0.000 1.146 458 P CA 0.948 63.864 63.100 -0.307 0.000 0.773 458 P CB -0.477 31.066 31.700 -0.262 0.000 0.772 459 N N -1.797 116.831 118.700 -0.120 0.000 2.398 459 N HA 0.083 4.823 4.740 0.001 0.000 0.188 459 N C 1.170 176.486 175.510 -0.324 0.000 1.122 459 N CA 0.555 53.517 53.050 -0.148 0.000 0.866 459 N CB -0.246 38.194 38.487 -0.079 0.000 0.970 459 N HN 0.068 nan 8.380 nan 0.000 0.462 460 G N -0.382 108.067 108.800 -0.585 0.000 2.168 460 G HA2 -0.161 3.800 3.960 0.001 0.000 0.197 460 G HA3 -0.161 3.800 3.960 0.001 0.000 0.197 460 G C -0.148 174.236 174.900 -0.860 0.000 0.997 460 G CA -0.298 44.048 45.100 -1.255 0.000 0.658 460 G HN 0.113 nan 8.290 nan 0.000 0.513 461 M N 0.589 119.963 119.600 -0.376 0.000 2.342 461 M HA 0.726 5.207 4.480 0.001 0.000 0.332 461 M C 0.508 176.692 176.300 -0.193 0.000 1.166 461 M CA -0.031 55.078 55.300 -0.319 0.000 1.086 461 M CB 1.151 33.584 32.600 -0.278 0.000 1.541 461 M HN 0.184 nan 8.290 nan 0.000 0.462 462 M N 1.963 121.271 119.600 -0.486 0.000 2.457 462 M HA 0.518 4.999 4.480 0.001 0.000 0.300 462 M C -1.701 174.123 176.300 -0.794 0.000 1.141 462 M CA -0.572 54.514 55.300 -0.357 0.000 0.901 462 M CB 2.442 34.902 32.600 -0.232 0.000 1.687 462 M HN 0.480 nan 8.290 nan 0.000 0.449 463 Y N -0.338 119.819 120.300 -0.239 0.000 2.576 463 Y HA 0.510 5.060 4.550 0.000 0.000 0.346 463 Y C -0.840 174.944 175.900 -0.194 0.000 1.018 463 Y CA -0.925 57.001 58.100 -0.291 0.000 1.050 463 Y CB 1.360 39.732 38.460 -0.147 0.000 1.280 463 Y HN 0.444 nan 8.280 nan 0.000 0.474 464 Y N 1.506 121.905 120.300 0.166 0.000 2.411 464 Y HA 0.131 4.681 4.550 0.000 0.000 0.333 464 Y C 1.232 177.226 175.900 0.158 0.000 1.186 464 Y CA -0.010 58.216 58.100 0.210 0.000 1.381 464 Y CB 0.822 39.366 38.460 0.140 0.000 1.273 464 Y HN 0.536 nan 8.280 nan 0.000 0.546 465 K N 1.091 121.674 120.400 0.306 0.000 2.308 465 K HA -0.060 4.261 4.320 0.001 0.000 0.197 465 K C 1.021 177.694 176.600 0.121 0.000 1.049 465 K CA 0.863 57.246 56.287 0.160 0.000 0.991 465 K CB 0.156 32.723 32.500 0.112 0.000 0.836 465 K HN 0.784 nan 8.250 nan 0.000 0.500 466 D N 1.417 121.902 120.400 0.143 0.000 2.224 466 D HA -0.115 4.526 4.640 0.001 0.000 0.205 466 D C 0.506 176.832 176.300 0.044 0.000 0.965 466 D CA 0.503 54.546 54.000 0.071 0.000 0.852 466 D CB 0.069 40.899 40.800 0.049 0.000 0.947 466 D HN 0.043 nan 8.370 nan 0.000 0.494 467 R N 1.787 122.332 120.500 0.075 0.000 2.428 467 R HA 0.107 4.447 4.340 0.001 0.000 0.294 467 R C 1.158 177.482 176.300 0.040 0.000 1.000 467 R CA -0.430 55.691 56.100 0.035 0.000 0.960 467 R CB 1.306 31.620 30.300 0.023 0.000 1.076 467 R HN 0.093 nan 8.270 nan 0.000 0.475 468 D N 2.016 122.421 120.400 0.008 0.000 2.088 468 D HA -0.133 4.507 4.640 0.001 0.000 0.191 468 D C 0.651 176.944 176.300 -0.012 0.000 0.992 468 D CA 1.252 55.249 54.000 -0.004 0.000 0.831 468 D CB -0.242 40.551 40.800 -0.012 0.000 0.973 468 D HN 0.708 nan 8.370 nan 0.000 0.447 469 G N -0.380 108.412 108.800 -0.014 0.000 3.322 469 G HA2 -0.116 3.844 3.960 0.001 0.000 0.686 469 G HA3 -0.116 3.844 3.960 0.001 0.000 0.686 469 G C 0.511 175.375 174.900 -0.059 0.000 1.015 469 G CA -0.246 44.835 45.100 -0.032 0.000 0.826 469 G HN 0.233 nan 8.290 nan 0.000 0.538 470 V N 2.913 122.777 119.914 -0.083 0.000 2.255 470 V HA -0.241 3.880 4.120 0.001 0.000 0.247 470 V C 3.032 179.050 176.094 -0.126 0.000 1.051 470 V CA 2.536 64.770 62.300 -0.110 0.000 1.018 470 V CB -0.853 30.870 31.823 -0.168 0.000 0.641 470 V HN 0.806 nan 8.190 nan 0.000 0.445 471 V N 1.020 120.838 119.914 -0.160 0.000 2.261 471 V HA -0.141 3.979 4.120 0.001 0.000 0.246 471 V C 0.308 176.327 176.094 -0.125 0.000 1.047 471 V CA 2.593 64.793 62.300 -0.166 0.000 1.015 471 V CB -1.995 29.724 31.823 -0.173 0.000 0.642 471 V HN 0.536 nan 8.190 nan 0.000 0.446 472 P HA -0.122 nan 4.420 nan 0.000 0.217 472 P C 1.691 178.960 177.300 -0.052 0.000 1.150 472 P CA 1.597 64.632 63.100 -0.108 0.000 0.832 472 P CB -0.202 31.421 31.700 -0.129 0.000 0.787 473 T N 0.100 114.635 114.554 -0.033 0.000 2.746 473 T HA -0.143 4.207 4.350 0.001 0.000 0.267 473 T C 1.821 176.553 174.700 0.053 0.000 1.039 473 T CA 1.641 63.745 62.100 0.007 0.000 1.142 473 T CB -0.564 68.305 68.868 0.002 0.000 0.866 473 T HN 0.136 nan 8.240 nan 0.000 0.444 474 E N 0.890 121.127 120.200 0.062 0.000 2.106 474 E HA -0.008 4.343 4.350 0.001 0.000 0.192 474 E C 1.964 178.704 176.600 0.234 0.000 0.984 474 E CA 0.828 57.328 56.400 0.166 0.000 0.806 474 E CB -0.437 29.390 29.700 0.211 0.000 0.750 474 E HN 0.524 nan 8.360 nan 0.000 0.458 475 I N -0.164 120.484 120.570 0.131 0.000 2.202 475 I HA -0.262 3.909 4.170 0.001 0.000 0.242 475 I C 2.121 178.344 176.117 0.177 0.000 1.091 475 I CA 1.499 62.885 61.300 0.144 0.000 1.368 475 I CB -0.477 37.521 38.000 -0.004 0.000 1.058 475 I HN 0.107 nan 8.210 nan 0.000 0.410 476 T N 0.627 115.251 114.554 0.116 0.000 2.720 476 T HA -0.209 4.142 4.350 0.001 0.000 0.268 476 T C 1.928 176.775 174.700 0.245 0.000 1.037 476 T CA 1.332 63.529 62.100 0.163 0.000 1.144 476 T CB -0.176 68.745 68.868 0.088 0.000 0.864 476 T HN 0.275 nan 8.240 nan 0.000 0.444 477 K N 0.388 120.903 120.400 0.193 0.000 2.032 477 K HA -0.081 4.239 4.320 0.001 0.000 0.209 477 K C 2.315 179.040 176.600 0.209 0.000 1.048 477 K CA 1.176 57.573 56.287 0.184 0.000 0.927 477 K CB -0.449 32.154 32.500 0.171 0.000 0.712 477 K HN 0.147 nan 8.250 nan 0.000 0.441 478 V N 1.025 121.092 119.914 0.255 0.000 2.407 478 V HA -0.238 3.882 4.120 0.001 0.000 0.248 478 V C 1.931 178.143 176.094 0.198 0.000 1.055 478 V CA 1.716 64.152 62.300 0.227 0.000 1.049 478 V CB -0.513 31.479 31.823 0.282 0.000 0.662 478 V HN 0.283 nan 8.190 nan 0.000 0.455 479 F N 1.709 121.711 119.950 0.088 0.000 2.146 479 F HA -0.152 4.375 4.527 0.000 0.000 0.298 479 F C 2.287 178.109 175.800 0.036 0.000 1.096 479 F CA 1.791 59.823 58.000 0.054 0.000 1.275 479 F CB -0.237 38.791 39.000 0.046 0.000 1.008 479 F HN 0.173 nan 8.300 nan 0.000 0.480 480 N N 0.528 119.216 118.700 -0.020 0.000 2.270 480 N HA -0.149 4.592 4.740 0.001 0.000 0.181 480 N C 1.741 177.165 175.510 -0.144 0.000 1.016 480 N CA 1.294 54.251 53.050 -0.154 0.000 0.870 480 N CB -0.456 38.046 38.487 0.025 0.000 0.979 480 N HN 0.542 nan 8.380 nan 0.000 0.431 481 Q N 0.385 120.169 119.800 -0.026 0.000 2.167 481 Q HA 0.003 4.343 4.340 0.001 0.000 0.202 481 Q C 2.107 178.111 176.000 0.006 0.000 0.970 481 Q CA 0.735 56.553 55.803 0.024 0.000 0.855 481 Q CB 0.045 28.871 28.738 0.148 0.000 0.911 481 Q HN 0.285 nan 8.270 nan 0.000 0.438 482 R N 1.145 121.605 120.500 -0.066 0.000 2.081 482 R HA -0.142 4.199 4.340 0.001 0.000 0.235 482 R C 1.796 177.995 176.300 -0.168 0.000 1.131 482 R CA 1.422 57.470 56.100 -0.086 0.000 0.960 482 R CB 0.139 30.383 30.300 -0.094 0.000 0.856 482 R HN 0.077 nan 8.270 nan 0.000 0.436 483 K N 0.201 120.421 120.400 -0.300 0.000 2.097 483 K HA -0.191 4.129 4.320 0.001 0.000 0.206 483 K C 2.042 178.457 176.600 -0.309 0.000 1.049 483 K CA 1.620 57.722 56.287 -0.308 0.000 0.933 483 K CB -0.127 32.139 32.500 -0.389 0.000 0.717 483 K HN 0.303 nan 8.250 nan 0.000 0.442 484 E N 0.620 120.602 120.200 -0.362 0.000 2.058 484 E HA -0.240 4.110 4.350 0.001 0.000 0.194 484 E C 1.799 177.803 176.600 -0.995 0.000 0.997 484 E CA 1.240 57.278 56.400 -0.603 0.000 0.801 484 E CB 0.053 29.419 29.700 -0.557 0.000 0.746 484 E HN 0.438 nan 8.360 nan 0.000 0.450 485 H N -0.445 118.290 119.070 -0.558 0.000 2.495 485 H HA -0.031 4.526 4.556 0.001 0.000 0.287 485 H C 2.003 177.172 175.328 -0.266 0.000 1.033 485 H CA 1.247 57.044 56.048 -0.420 0.000 1.307 485 H CB 0.203 29.874 29.762 -0.152 0.000 1.401 485 H HN 0.044 nan 8.280 nan 0.000 0.555 486 K N 0.905 121.209 120.400 -0.160 0.000 2.097 486 K HA -0.037 4.283 4.320 0.001 0.000 0.205 486 K C 2.353 178.874 176.600 -0.133 0.000 1.050 486 K CA 1.065 57.285 56.287 -0.112 0.000 0.938 486 K CB -0.480 31.948 32.500 -0.119 0.000 0.718 486 K HN 0.248 nan 8.250 nan 0.000 0.442 487 G N -0.701 107.959 108.800 -0.232 0.000 2.402 487 G HA2 -0.223 3.737 3.960 0.001 0.000 0.216 487 G HA3 -0.223 3.737 3.960 0.001 0.000 0.216 487 G C 1.101 175.948 174.900 -0.088 0.000 1.162 487 G CA 0.818 45.809 45.100 -0.181 0.000 0.777 487 G HN 0.253 nan 8.290 nan 0.000 0.539 488 Y N 0.006 120.196 120.300 -0.182 0.000 2.181 488 Y HA 0.021 4.572 4.550 0.001 0.000 0.288 488 Y C 2.796 178.605 175.900 -0.152 0.000 1.146 488 Y CA 0.647 58.605 58.100 -0.236 0.000 1.164 488 Y CB -0.938 37.382 38.460 -0.233 0.000 0.982 488 Y HN 0.187 nan 8.280 nan 0.000 0.515 489 M N -0.542 119.095 119.600 0.061 0.000 2.080 489 M HA -0.215 4.265 4.480 0.001 0.000 0.260 489 M C 1.823 178.111 176.300 -0.020 0.000 1.068 489 M CA 1.806 57.114 55.300 0.012 0.000 1.109 489 M CB -0.310 32.291 32.600 0.001 0.000 1.342 489 M HN 0.260 nan 8.290 nan 0.000 0.405 490 L N -0.345 120.860 121.223 -0.030 0.000 2.109 490 L HA -0.101 4.239 4.340 0.001 0.000 0.207 490 L C 2.737 179.577 176.870 -0.049 0.000 1.086 490 L CA 0.918 55.735 54.840 -0.038 0.000 0.760 490 L CB -1.027 41.008 42.059 -0.040 0.000 0.910 490 L HN 0.392 nan 8.230 nan 0.000 0.437 491 A N 0.402 123.191 122.820 -0.052 0.000 1.873 491 A HA -0.117 4.203 4.320 0.001 0.000 0.215 491 A C 2.472 179.980 177.584 -0.127 0.000 1.186 491 A CA 1.562 53.548 52.037 -0.085 0.000 0.616 491 A CB -0.658 18.293 19.000 -0.081 0.000 0.823 491 A HN 0.365 nan 8.150 nan 0.000 0.442 492 A N -1.223 121.543 122.820 -0.091 0.000 2.178 492 A HA -0.111 4.210 4.320 0.001 0.000 0.218 492 A C 2.018 179.560 177.584 -0.070 0.000 1.157 492 A CA 1.595 53.589 52.037 -0.071 0.000 0.689 492 A CB -0.386 18.585 19.000 -0.048 0.000 0.787 492 A HN 0.692 nan 8.150 nan 0.000 0.465 493 Q N -0.720 119.040 119.800 -0.067 0.000 2.107 493 Q HA -0.002 4.339 4.340 0.001 0.000 0.195 493 Q C 2.274 178.242 176.000 -0.052 0.000 0.964 493 Q CA 0.665 56.438 55.803 -0.049 0.000 0.833 493 Q CB -0.003 28.712 28.738 -0.039 0.000 0.910 493 Q HN 0.633 nan 8.270 nan 0.000 0.465 494 R N 0.341 120.797 120.500 -0.073 0.000 2.120 494 R HA -0.076 4.265 4.340 0.001 0.000 0.234 494 R C 1.816 178.053 176.300 -0.104 0.000 1.123 494 R CA 1.225 57.282 56.100 -0.073 0.000 0.975 494 R CB -0.169 30.085 30.300 -0.076 0.000 0.866 494 R HN 0.294 nan 8.270 nan 0.000 0.446 495 N N 0.129 118.696 118.700 -0.222 0.000 2.244 495 N HA -0.083 4.658 4.740 0.001 0.000 0.183 495 N C 1.791 177.319 175.510 0.030 0.000 1.016 495 N CA 1.352 54.177 53.050 -0.375 0.000 0.866 495 N CB -0.408 37.535 38.487 -0.906 0.000 0.980 495 N HN 0.317 nan 8.380 nan 0.000 0.430 496 G N 1.281 110.094 108.800 0.023 0.000 2.422 496 G HA2 -0.188 3.773 3.960 0.001 0.000 0.218 496 G HA3 -0.188 3.773 3.960 0.001 0.000 0.218 496 G C 1.468 176.417 174.900 0.082 0.000 1.140 496 G CA 0.478 45.622 45.100 0.073 0.000 0.775 496 G HN 0.213 nan 8.290 nan 0.000 0.545 497 E N 0.487 120.717 120.200 0.051 0.000 2.107 497 E HA 0.012 4.363 4.350 0.001 0.000 0.191 497 E C 2.586 179.226 176.600 0.066 0.000 0.982 497 E CA 0.256 56.684 56.400 0.046 0.000 0.809 497 E CB -0.170 29.542 29.700 0.019 0.000 0.756 497 E HN 0.507 nan 8.360 nan 0.000 0.459 498 I N 0.824 121.458 120.570 0.106 0.000 2.286 498 I HA -0.227 3.944 4.170 0.001 0.000 0.248 498 I C 2.303 178.513 176.117 0.156 0.000 1.115 498 I CA 0.887 62.273 61.300 0.144 0.000 1.392 498 I CB -0.206 37.950 38.000 0.260 0.000 1.065 498 I HN 0.037 nan 8.210 nan 0.000 0.418 499 I N 0.556 121.249 120.570 0.205 0.000 2.353 499 I HA -0.232 3.938 4.170 0.001 0.000 0.248 499 I C 2.390 178.587 176.117 0.134 0.000 1.119 499 I CA 1.250 62.658 61.300 0.180 0.000 1.417 499 I CB -0.283 37.853 38.000 0.226 0.000 1.078 499 I HN 0.154 nan 8.210 nan 0.000 0.421 500 K N 0.470 120.943 120.400 0.121 0.000 2.103 500 K HA -0.118 4.202 4.320 0.001 0.000 0.204 500 K C 1.949 178.627 176.600 0.131 0.000 1.052 500 K CA 0.863 57.233 56.287 0.138 0.000 0.945 500 K CB -0.031 32.541 32.500 0.121 0.000 0.722 500 K HN 0.184 nan 8.250 nan 0.000 0.443 501 E N 0.524 120.717 120.200 -0.012 0.000 2.265 501 E HA -0.136 4.214 4.350 0.001 0.000 0.196 501 E C 1.787 178.327 176.600 -0.100 0.000 0.996 501 E CA 0.870 57.136 56.400 -0.223 0.000 0.832 501 E CB 0.054 29.670 29.700 -0.140 0.000 0.756 501 E HN 0.306 nan 8.360 nan 0.000 0.491 502 A N 0.553 123.400 122.820 0.046 0.000 2.021 502 A HA 0.031 4.351 4.320 0.001 0.000 0.216 502 A C 2.068 179.736 177.584 0.139 0.000 1.163 502 A CA 0.139 52.221 52.037 0.077 0.000 0.676 502 A CB -0.299 18.740 19.000 0.065 0.000 0.818 502 A HN 0.156 nan 8.150 nan 0.000 0.453 503 L N 0.373 121.716 121.223 0.201 0.000 2.700 503 L HA -0.054 4.287 4.340 0.001 0.000 0.240 503 L C -0.096 176.890 176.870 0.193 0.000 1.162 503 L CA 0.077 55.023 54.840 0.178 0.000 0.874 503 L CB -0.571 41.577 42.059 0.147 0.000 1.001 503 L HN 0.359 nan 8.230 nan 0.000 0.447 504 H N 0.971 120.057 119.070 0.026 0.000 2.787 504 H HA 0.246 4.803 4.556 0.001 0.000 0.275 504 H C -0.094 175.245 175.328 0.018 0.000 1.183 504 H CA -0.931 55.130 56.048 0.022 0.000 1.290 504 H CB -0.057 29.718 29.762 0.022 0.000 1.438 504 H HN 0.045 nan 8.280 nan 0.000 0.487 505 N N 2.499 121.249 118.700 0.083 0.000 2.663 505 N HA -0.114 4.626 4.740 0.001 0.000 0.263 505 N C -2.594 172.949 175.510 0.055 0.000 1.109 505 N CA 0.122 53.205 53.050 0.056 0.000 0.701 505 N CB -0.430 38.092 38.487 0.057 0.000 0.879 505 N HN 0.506 nan 8.380 nan 0.000 0.550 506 P HA 0.259 nan 4.420 nan 0.000 0.281 506 P C -0.052 177.264 177.300 0.026 0.000 1.249 506 P CA -0.413 62.712 63.100 0.040 0.000 0.810 506 P CB 0.776 32.502 31.700 0.042 0.000 1.008 507 N N 0.529 119.242 118.700 0.021 0.000 2.374 507 N HA 0.006 4.746 4.740 0.001 0.000 0.241 507 N C 1.055 176.573 175.510 0.013 0.000 1.262 507 N CA -0.010 53.049 53.050 0.015 0.000 0.880 507 N CB -0.076 38.418 38.487 0.010 0.000 1.105 507 N HN 0.289 nan 8.380 nan 0.000 0.438 508 L N -0.073 121.156 121.223 0.010 0.000 2.416 508 L HA 0.166 4.506 4.340 0.001 0.000 0.216 508 L C 0.614 177.488 176.870 0.006 0.000 1.098 508 L CA 0.680 55.525 54.840 0.008 0.000 0.840 508 L CB -0.594 41.469 42.059 0.006 0.000 0.981 508 L HN 0.370 nan 8.230 nan 0.000 0.462 509 S N -0.048 115.655 115.700 0.005 0.000 2.573 509 S HA 0.072 4.542 4.470 0.001 0.000 0.297 509 S C 0.247 174.849 174.600 0.003 0.000 1.280 509 S CA -0.350 57.852 58.200 0.003 0.000 1.061 509 S CB 0.677 63.878 63.200 0.002 0.000 0.812 509 S HN -0.049 nan 8.310 nan 0.000 0.500 510 V N 4.814 124.730 119.914 0.002 0.000 2.637 510 V HA 0.294 4.415 4.120 0.001 0.000 0.296 510 V C 0.229 176.324 176.094 0.001 0.000 1.046 510 V CA 0.204 62.505 62.300 0.002 0.000 1.066 510 V CB 0.729 32.553 31.823 0.002 0.000 0.968 510 V HN 1.065 nan 8.190 nan 0.000 0.483 511 D N 3.401 123.803 120.400 0.002 0.000 2.851 511 D HA 0.469 5.109 4.640 0.001 0.000 0.339 511 D C -1.176 175.126 176.300 0.004 0.000 1.347 511 D CA -0.786 53.215 54.000 0.001 0.000 0.888 511 D CB 1.009 41.808 40.800 -0.002 0.000 1.431 511 D HN 0.286 nan 8.370 nan 0.000 0.509 512 E N -0.483 119.719 120.200 0.003 0.000 2.299 512 E HA 0.503 4.854 4.350 0.001 0.000 0.265 512 E C -2.332 174.275 176.600 0.010 0.000 0.911 512 E CA -1.860 54.544 56.400 0.008 0.000 0.789 512 E CB 1.366 31.070 29.700 0.007 0.000 1.246 512 E HN 0.319 nan 8.360 nan 0.000 0.427 513 P HA 0.133 nan 4.420 nan 0.000 0.272 513 P C -0.320 176.989 177.300 0.016 0.000 1.223 513 P CA -0.514 62.608 63.100 0.037 0.000 0.784 513 P CB 0.582 32.330 31.700 0.079 0.000 0.923 514 L N 2.314 123.527 121.223 -0.016 0.000 2.439 514 L HA 0.153 4.494 4.340 0.001 0.000 0.269 514 L C 1.006 177.848 176.870 -0.047 0.000 1.179 514 L CA 0.826 55.629 54.840 -0.061 0.000 0.828 514 L CB -0.527 41.444 42.059 -0.146 0.000 1.106 514 L HN 0.266 nan 8.230 nan 0.000 0.467 515 D N 2.316 122.686 120.400 -0.049 0.000 2.468 515 D HA 0.333 4.974 4.640 0.001 0.000 0.218 515 D C -0.288 175.964 176.300 -0.081 0.000 1.155 515 D CA 0.166 54.147 54.000 -0.033 0.000 0.924 515 D CB 0.820 41.612 40.800 -0.013 0.000 1.029 515 D HN 0.312 nan 8.370 nan 0.000 0.515 516 V N -0.705 119.116 119.914 -0.154 0.000 3.141 516 V HA 0.534 4.654 4.120 0.001 0.000 0.312 516 V C -0.427 175.534 176.094 -0.222 0.000 1.157 516 V CA -1.055 61.123 62.300 -0.202 0.000 1.041 516 V CB 2.823 34.461 31.823 -0.308 0.000 1.071 516 V HN 0.052 nan 8.190 nan 0.000 0.441 517 D N 0.417 120.765 120.400 -0.086 0.000 2.359 517 D HA 0.342 4.982 4.640 0.001 0.000 0.230 517 D C 0.004 176.290 176.300 -0.022 0.000 1.118 517 D CA -0.164 53.840 54.000 0.007 0.000 0.844 517 D CB 1.048 41.951 40.800 0.171 0.000 1.059 517 D HN 0.618 nan 8.370 nan 0.000 0.493 518 Y N 2.252 122.587 120.300 0.058 0.000 2.578 518 Y HA 0.073 4.623 4.550 0.001 0.000 0.297 518 Y C 2.091 177.874 175.900 -0.196 0.000 1.176 518 Y CA 0.239 58.328 58.100 -0.018 0.000 1.315 518 Y CB 0.140 38.598 38.460 -0.004 0.000 1.031 518 Y HN 0.255 nan 8.280 nan 0.000 0.524 519 R N -0.775 119.588 120.500 -0.228 0.000 2.297 519 R HA 0.103 4.443 4.340 0.001 0.000 0.197 519 R C -0.793 175.070 176.300 -0.728 0.000 0.943 519 R CA 0.310 56.060 56.100 -0.584 0.000 1.038 519 R CB 0.159 29.744 30.300 -1.192 0.000 0.957 519 R HN 0.096 nan 8.270 nan 0.000 0.484 520 F N 0.287 120.192 119.950 -0.075 0.000 2.551 520 F HA 0.242 4.770 4.527 0.001 0.000 0.316 520 F C 0.194 175.920 175.800 -0.122 0.000 1.089 520 F CA -1.692 56.276 58.000 -0.053 0.000 0.915 520 F CB 1.014 39.996 39.000 -0.031 0.000 1.186 520 F HN -0.241 nan 8.300 nan 0.000 0.456 521 D N 1.854 122.297 120.400 0.072 0.000 2.525 521 D HA -0.032 4.608 4.640 0.001 0.000 0.235 521 D C -0.170 176.152 176.300 0.037 0.000 1.137 521 D CA 0.629 54.592 54.000 -0.060 0.000 0.868 521 D CB 0.446 41.246 40.800 0.000 0.000 1.180 521 D HN 0.067 nan 8.370 nan 0.000 0.465 522 F N 1.241 121.212 119.950 0.035 0.000 2.578 522 F HA -0.019 4.509 4.527 0.001 0.000 0.376 522 F C 1.688 177.489 175.800 0.003 0.000 1.085 522 F CA -0.791 57.211 58.000 0.004 0.000 1.260 522 F CB -0.167 38.830 39.000 -0.005 0.000 1.095 522 F HN 0.068 nan 8.300 nan 0.000 0.573 523 S N 1.336 117.153 115.700 0.195 0.000 2.617 523 S HA 0.091 4.561 4.470 0.001 0.000 0.259 523 S C 0.770 175.413 174.600 0.071 0.000 1.301 523 S CA -0.396 57.859 58.200 0.091 0.000 0.984 523 S CB 0.618 63.844 63.200 0.043 0.000 0.954 523 S HN 0.580 nan 8.310 nan 0.000 0.572 524 D N 1.231 121.655 120.400 0.039 0.000 2.084 524 D HA -0.143 4.498 4.640 0.001 0.000 0.194 524 D C 2.164 178.468 176.300 0.006 0.000 0.990 524 D CA 1.555 55.571 54.000 0.026 0.000 0.826 524 D CB -0.154 40.655 40.800 0.015 0.000 0.971 524 D HN 0.811 nan 8.370 nan 0.000 0.453 525 E N 1.181 121.378 120.200 -0.005 0.000 2.160 525 E HA -0.207 4.144 4.350 0.001 0.000 0.195 525 E C 2.189 178.761 176.600 -0.046 0.000 0.991 525 E CA 0.874 57.260 56.400 -0.023 0.000 0.810 525 E CB -0.535 29.151 29.700 -0.024 0.000 0.742 525 E HN 0.432 nan 8.360 nan 0.000 0.466 526 I N 0.937 121.472 120.570 -0.058 0.000 2.353 526 I HA -0.184 3.986 4.170 0.001 0.000 0.248 526 I C 2.377 178.398 176.117 -0.161 0.000 1.119 526 I CA 1.029 62.244 61.300 -0.142 0.000 1.417 526 I CB -0.122 37.758 38.000 -0.202 0.000 1.078 526 I HN 0.026 nan 8.210 nan 0.000 0.421 527 K N 0.678 121.037 120.400 -0.069 0.000 2.211 527 K HA -0.151 4.170 4.320 0.001 0.000 0.203 527 K C 1.846 178.427 176.600 -0.032 0.000 1.050 527 K CA 1.127 57.396 56.287 -0.030 0.000 0.945 527 K CB -0.044 32.486 32.500 0.049 0.000 0.732 527 K HN 0.379 nan 8.250 nan 0.000 0.451 528 E N 0.794 120.975 120.200 -0.032 0.000 2.107 528 E HA -0.113 4.238 4.350 0.001 0.000 0.191 528 E C 1.722 178.301 176.600 -0.036 0.000 0.982 528 E CA 0.847 57.232 56.400 -0.025 0.000 0.809 528 E CB 0.135 29.823 29.700 -0.019 0.000 0.756 528 E HN 0.225 nan 8.360 nan 0.000 0.459 529 K N 0.652 121.018 120.400 -0.057 0.000 2.103 529 K HA -0.032 4.288 4.320 0.001 0.000 0.204 529 K C 2.075 178.636 176.600 -0.064 0.000 1.052 529 K CA 0.759 57.010 56.287 -0.060 0.000 0.945 529 K CB -0.009 32.444 32.500 -0.078 0.000 0.722 529 K HN 0.111 nan 8.250 nan 0.000 0.443 530 I N 1.476 121.992 120.570 -0.090 0.000 2.567 530 I HA -0.253 3.917 4.170 0.001 0.000 0.257 530 I C 1.726 177.826 176.117 -0.028 0.000 1.184 530 I CA 1.214 62.467 61.300 -0.079 0.000 1.451 530 I CB -0.126 37.804 38.000 -0.117 0.000 1.089 530 I HN 0.111 nan 8.210 nan 0.000 0.441 531 K N 0.816 121.203 120.400 -0.021 0.000 2.439 531 K HA -0.075 4.245 4.320 0.001 0.000 0.197 531 K C 1.287 177.887 176.600 -0.000 0.000 1.041 531 K CA 0.754 57.039 56.287 -0.003 0.000 0.970 531 K CB 0.085 32.583 32.500 -0.002 0.000 0.773 531 K HN 0.323 nan 8.250 nan 0.000 0.479 532 K N 0.079 120.474 120.400 -0.008 0.000 2.402 532 K HA 0.156 4.477 4.320 0.001 0.000 0.204 532 K C -0.222 176.376 176.600 -0.003 0.000 1.056 532 K CA -0.271 56.013 56.287 -0.004 0.000 1.069 532 K CB 0.670 33.165 32.500 -0.009 0.000 0.888 532 K HN -0.094 nan 8.250 nan 0.000 0.546 533 L N 1.948 123.169 121.223 -0.003 0.000 2.436 533 L HA 0.171 4.511 4.340 0.001 0.000 0.265 533 L C 1.088 177.966 176.870 0.013 0.000 1.168 533 L CA 0.364 55.205 54.840 0.002 0.000 0.815 533 L CB 0.999 43.059 42.059 0.000 0.000 1.109 533 L HN 0.169 nan 8.230 nan 0.000 0.462 534 S N 1.003 116.712 115.700 0.014 0.000 2.624 534 S HA 0.403 4.874 4.470 0.001 0.000 0.263 534 S C 1.168 175.783 174.600 0.024 0.000 1.287 534 S CA -0.069 58.141 58.200 0.017 0.000 0.990 534 S CB 0.985 64.192 63.200 0.012 0.000 0.950 534 S HN 0.676 nan 8.310 nan 0.000 0.561 535 A N 1.082 123.917 122.820 0.024 0.000 1.877 535 A HA -0.097 4.223 4.320 0.001 0.000 0.216 535 A C 2.167 179.768 177.584 0.028 0.000 1.186 535 A CA 1.818 53.873 52.037 0.029 0.000 0.620 535 A CB -1.057 17.956 19.000 0.022 0.000 0.822 535 A HN 0.952 nan 8.150 nan 0.000 0.443 536 K N -0.262 120.150 120.400 0.020 0.000 2.044 536 K HA -0.162 4.159 4.320 0.001 0.000 0.210 536 K C 2.249 178.864 176.600 0.025 0.000 1.049 536 K CA 1.845 58.142 56.287 0.016 0.000 0.927 536 K CB -0.230 32.275 32.500 0.008 0.000 0.713 536 K HN 0.425 nan 8.250 nan 0.000 0.443 537 S N 0.990 116.706 115.700 0.027 0.000 2.368 537 S HA -0.052 4.418 4.470 0.001 0.000 0.224 537 S C 1.865 176.499 174.600 0.057 0.000 1.029 537 S CA 1.002 59.224 58.200 0.037 0.000 0.988 537 S CB -0.164 63.051 63.200 0.026 0.000 0.838 537 S HN 0.247 nan 8.310 nan 0.000 0.462 538 L N 1.765 123.021 121.223 0.055 0.000 2.017 538 L HA -0.147 4.194 4.340 0.001 0.000 0.208 538 L C 2.218 179.142 176.870 0.091 0.000 1.073 538 L CA 0.965 55.850 54.840 0.076 0.000 0.745 538 L CB -0.653 41.448 42.059 0.070 0.000 0.894 538 L HN 0.276 nan 8.230 nan 0.000 0.432 539 N N -0.208 118.536 118.700 0.073 0.000 2.223 539 N HA -0.214 4.527 4.740 0.001 0.000 0.185 539 N C 1.826 177.396 175.510 0.101 0.000 1.016 539 N CA 1.147 54.244 53.050 0.078 0.000 0.863 539 N CB -0.112 38.405 38.487 0.051 0.000 0.983 539 N HN 0.301 nan 8.380 nan 0.000 0.429 540 E N 0.927 121.179 120.200 0.086 0.000 2.107 540 E HA 0.029 4.380 4.350 0.001 0.000 0.191 540 E C 1.929 178.624 176.600 0.159 0.000 0.982 540 E CA 0.890 57.353 56.400 0.105 0.000 0.809 540 E CB -0.124 29.617 29.700 0.067 0.000 0.756 540 E HN 0.290 nan 8.360 nan 0.000 0.459 541 M N -0.454 119.237 119.600 0.152 0.000 2.229 541 M HA -0.085 4.395 4.480 0.001 0.000 0.264 541 M C 1.936 178.293 176.300 0.095 0.000 1.063 541 M CA 0.742 56.165 55.300 0.204 0.000 1.114 541 M CB -0.132 32.623 32.600 0.259 0.000 1.387 541 M HN 0.211 nan 8.290 nan 0.000 0.420 542 L N -0.051 121.237 121.223 0.108 0.000 2.056 542 L HA -0.128 4.212 4.340 0.001 0.000 0.207 542 L C 2.141 179.012 176.870 0.002 0.000 1.078 542 L CA 1.761 56.639 54.840 0.063 0.000 0.749 542 L CB -0.925 41.190 42.059 0.094 0.000 0.901 542 L HN 0.200 nan 8.230 nan 0.000 0.433 543 F N 0.524 120.435 119.950 -0.066 0.000 2.126 543 F HA -0.248 4.280 4.527 0.001 0.000 0.299 543 F C 2.527 178.235 175.800 -0.154 0.000 1.096 543 F CA 1.817 59.771 58.000 -0.077 0.000 1.255 543 F CB -0.218 38.757 39.000 -0.041 0.000 0.997 543 F HN 0.039 nan 8.300 nan 0.000 0.479 544 R N -0.040 120.330 120.500 -0.217 0.000 2.092 544 R HA -0.042 4.299 4.340 0.001 0.000 0.231 544 R C 2.498 178.318 176.300 -0.801 0.000 1.119 544 R CA 1.043 56.856 56.100 -0.477 0.000 0.970 544 R CB -0.784 29.294 30.300 -0.370 0.000 0.864 544 R HN 0.383 nan 8.270 nan 0.000 0.440 545 A N 1.245 123.525 122.820 -0.900 0.000 1.902 545 A HA -0.226 4.094 4.320 0.001 0.000 0.217 545 A C 2.030 179.416 177.584 -0.331 0.000 1.181 545 A CA 1.297 52.951 52.037 -0.638 0.000 0.623 545 A CB -0.366 18.497 19.000 -0.229 0.000 0.818 545 A HN 0.328 nan 8.150 nan 0.000 0.443 546 Q N -1.140 118.478 119.800 -0.304 0.000 2.119 546 Q HA -0.137 4.204 4.340 0.001 0.000 0.201 546 Q C 2.357 178.188 176.000 -0.281 0.000 0.972 546 Q CA 1.288 56.947 55.803 -0.240 0.000 0.847 546 Q CB -0.203 28.408 28.738 -0.212 0.000 0.903 546 Q HN 0.686 nan 8.270 nan 0.000 0.433 547 R N 0.315 120.562 120.500 -0.422 0.000 2.105 547 R HA -0.140 4.201 4.340 0.001 0.000 0.239 547 R C 1.833 177.997 176.300 -0.226 0.000 1.135 547 R CA 1.764 57.637 56.100 -0.378 0.000 0.967 547 R CB -0.100 29.904 30.300 -0.494 0.000 0.861 547 R HN 0.181 nan 8.270 nan 0.000 0.442 548 T N 0.487 114.908 114.554 -0.222 0.000 2.857 548 T HA -0.134 4.217 4.350 0.001 0.000 0.266 548 T C 1.528 176.176 174.700 -0.086 0.000 1.048 548 T CA 1.340 63.362 62.100 -0.130 0.000 1.139 548 T CB -0.113 68.698 68.868 -0.095 0.000 0.874 548 T HN 0.429 nan 8.240 nan 0.000 0.455 549 E N 0.678 120.817 120.200 -0.101 0.000 2.051 549 E HA -0.133 4.218 4.350 0.001 0.000 0.192 549 E C 2.232 178.802 176.600 -0.050 0.000 0.991 549 E CA 1.129 57.490 56.400 -0.064 0.000 0.799 549 E CB -0.098 29.558 29.700 -0.073 0.000 0.748 549 E HN 0.239 nan 8.360 nan 0.000 0.449 550 V N 1.385 121.255 119.914 -0.073 0.000 2.332 550 V HA -0.287 3.834 4.120 0.001 0.000 0.248 550 V C 2.510 178.581 176.094 -0.039 0.000 1.055 550 V CA 1.879 64.144 62.300 -0.057 0.000 1.038 550 V CB -0.832 30.948 31.823 -0.072 0.000 0.651 550 V HN 0.449 nan 8.190 nan 0.000 0.450 551 A N 0.386 123.180 122.820 -0.043 0.000 1.933 551 A HA -0.103 4.218 4.320 0.001 0.000 0.218 551 A C 2.400 179.985 177.584 0.003 0.000 1.175 551 A CA 1.951 53.972 52.037 -0.026 0.000 0.628 551 A CB -1.123 17.851 19.000 -0.043 0.000 0.814 551 A HN 0.542 nan 8.150 nan 0.000 0.444 552 G N -0.851 107.970 108.800 0.036 0.000 2.408 552 G HA2 -0.158 3.803 3.960 0.001 0.000 0.217 552 G HA3 -0.158 3.803 3.960 0.001 0.000 0.217 552 G C 1.498 176.415 174.900 0.029 0.000 1.150 552 G CA 1.447 46.607 45.100 0.101 0.000 0.776 552 G HN 0.453 nan 8.290 nan 0.000 0.542 553 M N 1.141 120.740 119.600 -0.001 0.000 2.067 553 M HA -0.005 4.476 4.480 0.001 0.000 0.260 553 M C 2.538 178.819 176.300 -0.032 0.000 1.069 553 M CA 2.127 57.419 55.300 -0.014 0.000 1.117 553 M CB -0.987 31.604 32.600 -0.015 0.000 1.334 553 M HN 0.108 nan 8.290 nan 0.000 0.407 554 T N 0.777 115.306 114.554 -0.041 0.000 2.720 554 T HA -0.109 4.241 4.350 0.001 0.000 0.268 554 T C 1.804 176.434 174.700 -0.117 0.000 1.037 554 T CA 1.738 63.801 62.100 -0.062 0.000 1.144 554 T CB -0.769 68.077 68.868 -0.036 0.000 0.864 554 T HN 0.572 nan 8.240 nan 0.000 0.444 555 A N 1.859 124.584 122.820 -0.159 0.000 1.902 555 A HA -0.206 4.115 4.320 0.001 0.000 0.217 555 A C 2.266 179.675 177.584 -0.291 0.000 1.181 555 A CA 2.060 53.894 52.037 -0.339 0.000 0.623 555 A CB -0.675 17.912 19.000 -0.688 0.000 0.818 555 A HN 0.689 nan 8.150 nan 0.000 0.443 556 Q N -0.741 118.970 119.800 -0.149 0.000 2.245 556 Q HA 0.030 4.370 4.340 0.001 0.000 0.201 556 Q C 1.562 177.522 176.000 -0.066 0.000 0.955 556 Q CA 1.368 57.120 55.803 -0.085 0.000 0.870 556 Q CB -0.298 28.421 28.738 -0.033 0.000 0.945 556 Q HN 0.460 nan 8.270 nan 0.000 0.461 557 I N 1.394 121.930 120.570 -0.057 0.000 2.406 557 I HA -0.130 4.041 4.170 0.001 0.000 0.249 557 I C 1.977 178.053 176.117 -0.068 0.000 1.122 557 I CA 1.070 62.368 61.300 -0.004 0.000 1.431 557 I CB -1.349 36.664 38.000 0.021 0.000 1.087 557 I HN 0.427 nan 8.210 nan 0.000 0.424 558 N N 1.888 120.488 118.700 -0.167 0.000 2.043 558 N HA -0.229 4.511 4.740 0.001 0.000 0.193 558 N C 1.885 177.257 175.510 -0.230 0.000 1.037 558 N CA 1.661 54.559 53.050 -0.254 0.000 0.851 558 N CB -0.077 38.224 38.487 -0.310 0.000 1.027 558 N HN 0.108 nan 8.380 nan 0.000 0.422 559 R N 1.008 121.372 120.500 -0.226 0.000 2.081 559 R HA -0.096 4.245 4.340 0.001 0.000 0.235 559 R C 2.191 178.480 176.300 -0.019 0.000 1.131 559 R CA 1.006 57.007 56.100 -0.165 0.000 0.960 559 R CB -0.845 29.377 30.300 -0.130 0.000 0.856 559 R HN 0.511 nan 8.270 nan 0.000 0.436 560 K N 1.013 121.420 120.400 0.011 0.000 2.032 560 K HA -0.100 4.221 4.320 0.001 0.000 0.209 560 K C 2.217 178.898 176.600 0.135 0.000 1.048 560 K CA 1.181 57.515 56.287 0.079 0.000 0.927 560 K CB -0.125 32.419 32.500 0.073 0.000 0.712 560 K HN 0.086 nan 8.250 nan 0.000 0.441 561 L N 0.813 122.111 121.223 0.124 0.000 2.046 561 L HA -0.208 4.132 4.340 0.001 0.000 0.208 561 L C 2.457 179.423 176.870 0.160 0.000 1.077 561 L CA 0.431 55.363 54.840 0.154 0.000 0.747 561 L CB -0.414 41.664 42.059 0.031 0.000 0.896 561 L HN 0.210 nan 8.230 nan 0.000 0.432 562 L N -0.061 121.216 121.223 0.089 0.000 2.012 562 L HA -0.225 4.115 4.340 0.001 0.000 0.210 562 L C 2.401 179.600 176.870 0.548 0.000 1.073 562 L CA 1.888 56.829 54.840 0.169 0.000 0.748 562 L CB -0.706 41.286 42.059 -0.112 0.000 0.891 562 L HN 0.152 nan 8.230 nan 0.000 0.431 563 I N -0.362 120.442 120.570 0.390 0.000 2.226 563 I HA -0.307 3.864 4.170 0.001 0.000 0.245 563 I C 1.807 178.076 176.117 0.252 0.000 1.100 563 I CA 1.042 62.550 61.300 0.346 0.000 1.374 563 I CB -0.373 37.767 38.000 0.233 0.000 1.057 563 I HN 0.328 nan 8.210 nan 0.000 0.413 564 N N 0.290 119.129 118.700 0.231 0.000 2.459 564 N HA -0.091 4.650 4.740 0.001 0.000 0.181 564 N C 1.821 177.469 175.510 0.230 0.000 1.046 564 N CA 1.380 54.552 53.050 0.203 0.000 0.904 564 N CB -0.107 38.502 38.487 0.202 0.000 0.964 564 N HN 0.398 nan 8.380 nan 0.000 0.444 565 S N -0.657 115.213 115.700 0.283 0.000 2.524 565 S HA 0.106 4.576 4.470 0.001 0.000 0.215 565 S C 1.714 176.422 174.600 0.179 0.000 0.986 565 S CA -0.333 58.024 58.200 0.262 0.000 0.911 565 S CB -0.040 63.338 63.200 0.298 0.000 0.805 565 S HN 0.100 nan 8.310 nan 0.000 0.501 566 L N 1.355 122.624 121.223 0.077 0.000 2.046 566 L HA 0.019 4.359 4.340 0.001 0.000 0.208 566 L C 2.192 178.877 176.870 -0.309 0.000 1.077 566 L CA 1.900 56.437 54.840 -0.504 0.000 0.747 566 L CB -1.244 40.345 42.059 -0.783 0.000 0.896 566 L HN 0.448 nan 8.230 nan 0.000 0.432 567 Y N 0.361 120.582 120.300 -0.132 0.000 2.165 567 Y HA -0.119 4.432 4.550 0.001 0.000 0.286 567 Y C 2.267 178.152 175.900 -0.025 0.000 1.155 567 Y CA 1.729 59.797 58.100 -0.053 0.000 1.164 567 Y CB -0.946 37.586 38.460 0.120 0.000 0.978 567 Y HN 0.203 nan 8.280 nan 0.000 0.513 568 G N -0.150 108.543 108.800 -0.177 0.000 2.442 568 G HA2 -0.276 3.684 3.960 0.001 0.000 0.219 568 G HA3 -0.276 3.684 3.960 0.001 0.000 0.219 568 G C 1.814 176.551 174.900 -0.272 0.000 1.141 568 G CA 1.090 46.065 45.100 -0.208 0.000 0.763 568 G HN 0.635 nan 8.290 nan 0.000 0.554 569 A N 0.564 123.174 122.820 -0.350 0.000 1.873 569 A HA 0.162 4.482 4.320 0.001 0.000 0.215 569 A C 2.378 179.663 177.584 -0.498 0.000 1.186 569 A CA 1.088 52.766 52.037 -0.598 0.000 0.616 569 A CB -0.407 17.956 19.000 -1.062 0.000 0.823 569 A HN 0.335 nan 8.150 nan 0.000 0.442 570 L N -0.669 120.335 121.223 -0.365 0.000 2.265 570 L HA -0.092 4.248 4.340 0.001 0.000 0.215 570 L C 2.300 179.167 176.870 -0.006 0.000 1.117 570 L CA 0.813 55.636 54.840 -0.028 0.000 0.782 570 L CB -0.297 41.706 42.059 -0.093 0.000 0.914 570 L HN 0.511 nan 8.230 nan 0.000 0.441 571 G N -1.372 107.309 108.800 -0.198 0.000 3.189 571 G HA2 -0.078 3.883 3.960 0.001 0.000 0.225 571 G HA3 -0.078 3.883 3.960 0.001 0.000 0.225 571 G C 0.368 175.360 174.900 0.153 0.000 1.159 571 G CA -0.257 44.835 45.100 -0.014 0.000 0.763 571 G HN 0.133 nan 8.290 nan 0.000 0.549 572 N N 1.390 120.149 118.700 0.098 0.000 2.426 572 N HA 0.101 4.841 4.740 0.001 0.000 0.257 572 N C 1.753 177.130 175.510 -0.220 0.000 1.002 572 N CA -0.256 52.805 53.050 0.018 0.000 0.942 572 N CB 2.029 40.564 38.487 0.080 0.000 1.112 572 N HN -0.030 nan 8.380 nan 0.000 0.499 573 V N 2.212 121.752 119.914 -0.622 0.000 2.660 573 V HA -0.131 3.990 4.120 0.001 0.000 0.257 573 V C 1.179 176.944 176.094 -0.548 0.000 1.088 573 V CA 1.147 62.797 62.300 -1.082 0.000 1.106 573 V CB -0.905 30.412 31.823 -0.845 0.000 0.686 573 V HN 0.631 nan 8.190 nan 0.000 0.481 574 W N -1.217 120.014 121.300 -0.117 0.000 3.139 574 W HA 0.408 5.069 4.660 0.001 0.000 0.260 574 W C 0.944 177.538 176.519 0.125 0.000 1.312 574 W CA -0.787 56.562 57.345 0.007 0.000 1.606 574 W CB -0.198 29.267 29.460 0.009 0.000 1.118 574 W HN 0.180 nan 8.180 nan 0.000 0.675 575 F N 1.933 121.966 119.950 0.137 0.000 2.443 575 F HA 0.177 4.705 4.527 0.001 0.000 0.353 575 F C 1.862 177.715 175.800 0.089 0.000 1.101 575 F CA -1.069 57.019 58.000 0.148 0.000 1.226 575 F CB 0.763 39.865 39.000 0.170 0.000 1.140 575 F HN -0.198 nan 8.300 nan 0.000 0.557 576 R N 3.294 123.542 120.500 -0.420 0.000 2.127 576 R HA -0.201 4.140 4.340 0.001 0.000 0.238 576 R C 0.682 176.493 176.300 -0.814 0.000 1.134 576 R CA 1.839 57.560 56.100 -0.632 0.000 0.975 576 R CB -0.238 29.552 30.300 -0.851 0.000 0.865 576 R HN 0.745 nan 8.270 nan 0.000 0.447 577 Y N -1.639 118.255 120.300 -0.677 0.000 2.524 577 Y HA 0.071 4.622 4.550 0.001 0.000 0.266 577 Y C -0.101 175.760 175.900 -0.064 0.000 1.180 577 Y CA -0.783 57.122 58.100 -0.326 0.000 1.244 577 Y CB -0.169 38.070 38.460 -0.369 0.000 1.125 577 Y HN 0.035 nan 8.280 nan 0.000 0.524 578 Y N 2.450 122.735 120.300 -0.025 0.000 2.597 578 Y HA 0.165 4.716 4.550 0.001 0.000 0.336 578 Y C -0.082 175.690 175.900 -0.214 0.000 1.216 578 Y CA 0.061 58.132 58.100 -0.048 0.000 1.463 578 Y CB 0.484 38.888 38.460 -0.093 0.000 1.303 578 Y HN 0.116 nan 8.280 nan 0.000 0.576 579 D N 6.327 126.141 120.400 -0.978 0.000 2.764 579 D HA 0.009 4.649 4.640 0.001 0.000 0.227 579 D C 0.123 175.798 176.300 -1.042 0.000 1.347 579 D CA -0.487 53.022 54.000 -0.818 0.000 0.953 579 D CB 1.536 42.139 40.800 -0.328 0.000 1.476 579 D HN 0.726 nan 8.370 nan 0.000 0.585 580 L N 5.373 125.995 121.223 -1.002 0.000 2.043 580 L HA -0.131 4.210 4.340 0.001 0.000 0.212 580 L C 2.207 178.800 176.870 -0.462 0.000 1.075 580 L CA 1.862 56.295 54.840 -0.677 0.000 0.752 580 L CB -0.187 41.706 42.059 -0.278 0.000 0.891 580 L HN 0.419 nan 8.230 nan 0.000 0.432 581 R N -0.747 119.558 120.500 -0.325 0.000 2.096 581 R HA -0.112 4.229 4.340 0.001 0.000 0.235 581 R C 1.961 178.156 176.300 -0.175 0.000 1.127 581 R CA 1.357 57.328 56.100 -0.215 0.000 0.968 581 R CB -0.607 29.589 30.300 -0.173 0.000 0.861 581 R HN 0.475 nan 8.270 nan 0.000 0.440 582 N N 0.910 119.492 118.700 -0.197 0.000 2.216 582 N HA -0.069 4.672 4.740 0.001 0.000 0.183 582 N C 1.680 177.075 175.510 -0.193 0.000 1.017 582 N CA 1.337 54.315 53.050 -0.120 0.000 0.861 582 N CB -0.306 38.113 38.487 -0.113 0.000 0.986 582 N HN 0.188 nan 8.380 nan 0.000 0.428 583 A N 0.377 122.993 122.820 -0.340 0.000 1.902 583 A HA -0.120 4.200 4.320 0.001 0.000 0.217 583 A C 2.314 179.766 177.584 -0.220 0.000 1.181 583 A CA 2.017 53.853 52.037 -0.334 0.000 0.623 583 A CB -1.085 17.481 19.000 -0.722 0.000 0.818 583 A HN 0.300 nan 8.150 nan 0.000 0.443 584 T N 0.241 114.627 114.554 -0.280 0.000 2.821 584 T HA 0.036 4.387 4.350 0.001 0.000 0.267 584 T C 2.189 176.886 174.700 -0.005 0.000 1.046 584 T CA 1.368 63.437 62.100 -0.050 0.000 1.139 584 T CB -0.401 68.429 68.868 -0.063 0.000 0.871 584 T HN 0.591 nan 8.240 nan 0.000 0.454 585 A N 1.128 123.926 122.820 -0.038 0.000 1.933 585 A HA -0.019 4.301 4.320 0.001 0.000 0.218 585 A C 2.253 179.834 177.584 -0.005 0.000 1.175 585 A CA 1.144 53.189 52.037 0.013 0.000 0.628 585 A CB -0.723 18.323 19.000 0.077 0.000 0.814 585 A HN 0.521 nan 8.150 nan 0.000 0.444 586 I N 0.041 120.559 120.570 -0.087 0.000 2.163 586 I HA -0.229 3.942 4.170 0.001 0.000 0.240 586 I C 2.941 178.959 176.117 -0.165 0.000 1.081 586 I CA 1.890 63.084 61.300 -0.177 0.000 1.353 586 I CB -0.672 37.168 38.000 -0.268 0.000 1.054 586 I HN 0.541 nan 8.210 nan 0.000 0.407 587 T N -1.954 112.512 114.554 -0.147 0.000 2.821 587 T HA -0.173 4.178 4.350 0.001 0.000 0.267 587 T C 1.910 176.669 174.700 0.098 0.000 1.046 587 T CA 1.729 63.791 62.100 -0.063 0.000 1.139 587 T CB -1.087 67.831 68.868 0.083 0.000 0.871 587 T HN 0.488 nan 8.240 nan 0.000 0.454 588 T N -0.895 113.722 114.554 0.105 0.000 2.904 588 T HA 0.019 4.370 4.350 0.001 0.000 0.267 588 T C 1.647 176.407 174.700 0.100 0.000 1.059 588 T CA 0.646 62.806 62.100 0.100 0.000 1.137 588 T CB -0.904 68.005 68.868 0.069 0.000 0.879 588 T HN 0.326 nan 8.240 nan 0.000 0.467 589 F N 2.639 122.576 119.950 -0.022 0.000 2.134 589 F HA 0.182 4.709 4.527 0.000 0.000 0.299 589 F C 2.452 178.256 175.800 0.007 0.000 1.097 589 F CA 1.152 59.131 58.000 -0.034 0.000 1.264 589 F CB -0.777 38.179 39.000 -0.073 0.000 1.001 589 F HN 0.255 nan 8.300 nan 0.000 0.479 590 G N -0.582 108.399 108.800 0.302 0.000 2.422 590 G HA2 -0.241 3.719 3.960 0.001 0.000 0.218 590 G HA3 -0.241 3.719 3.960 0.001 0.000 0.218 590 G C 1.523 176.518 174.900 0.159 0.000 1.146 590 G CA 0.699 45.966 45.100 0.278 0.000 0.769 590 G HN 0.423 nan 8.290 nan 0.000 0.547 591 Q N -0.784 119.094 119.800 0.129 0.000 2.079 591 Q HA -0.009 4.331 4.340 0.001 0.000 0.200 591 Q C 2.458 178.414 176.000 -0.073 0.000 0.974 591 Q CA 1.195 57.038 55.803 0.066 0.000 0.840 591 Q CB -0.205 28.585 28.738 0.087 0.000 0.898 591 Q HN 0.587 nan 8.270 nan 0.000 0.430 592 M N 0.148 119.702 119.600 -0.077 0.000 2.099 592 M HA -0.156 4.325 4.480 0.001 0.000 0.262 592 M C 2.136 178.398 176.300 -0.062 0.000 1.067 592 M CA 1.670 56.914 55.300 -0.094 0.000 1.124 592 M CB -0.149 32.337 32.600 -0.190 0.000 1.353 592 M HN 0.189 nan 8.290 nan 0.000 0.410 593 A N 0.928 123.665 122.820 -0.138 0.000 1.892 593 A HA -0.205 4.116 4.320 0.001 0.000 0.218 593 A C 2.108 179.840 177.584 0.246 0.000 1.188 593 A CA 1.803 53.874 52.037 0.056 0.000 0.631 593 A CB -1.202 17.820 19.000 0.037 0.000 0.822 593 A HN 0.629 nan 8.150 nan 0.000 0.447 594 L N -1.026 120.290 121.223 0.155 0.000 2.093 594 L HA -0.218 4.123 4.340 0.001 0.000 0.208 594 L C 2.844 179.757 176.870 0.072 0.000 1.085 594 L CA 1.657 56.600 54.840 0.171 0.000 0.755 594 L CB -0.460 41.738 42.059 0.231 0.000 0.904 594 L HN 0.565 nan 8.230 nan 0.000 0.435 595 Q N -1.444 118.299 119.800 -0.094 0.000 2.245 595 Q HA -0.198 4.142 4.340 0.001 0.000 0.201 595 Q C 1.953 177.961 176.000 0.013 0.000 0.955 595 Q CA 0.938 56.650 55.803 -0.152 0.000 0.870 595 Q CB -0.106 28.405 28.738 -0.378 0.000 0.945 595 Q HN 0.604 nan 8.270 nan 0.000 0.461 596 W N 1.115 122.344 121.300 -0.118 0.000 2.409 596 W HA -0.130 4.530 4.660 -0.000 0.000 0.299 596 W C 1.587 177.996 176.519 -0.184 0.000 1.203 596 W CA 0.737 58.012 57.345 -0.116 0.000 1.298 596 W CB -0.179 29.232 29.460 -0.082 0.000 1.127 596 W HN 0.121 nan 8.180 nan 0.000 0.528 597 I N 1.808 122.465 120.570 0.145 0.000 2.546 597 I HA -0.214 3.956 4.170 0.001 0.000 0.255 597 I C 2.546 178.593 176.117 -0.116 0.000 1.163 597 I CA 1.974 63.193 61.300 -0.136 0.000 1.457 597 I CB -0.771 37.063 38.000 -0.278 0.000 1.092 597 I HN 0.136 nan 8.210 nan 0.000 0.434 598 E N 0.398 120.577 120.200 -0.034 0.000 2.106 598 E HA -0.285 4.066 4.350 0.001 0.000 0.192 598 E C 2.433 178.999 176.600 -0.057 0.000 0.984 598 E CA 0.922 57.312 56.400 -0.016 0.000 0.806 598 E CB -0.189 29.536 29.700 0.042 0.000 0.750 598 E HN 0.475 nan 8.360 nan 0.000 0.458 599 R N 0.372 120.801 120.500 -0.118 0.000 2.062 599 R HA -0.096 4.244 4.340 0.001 0.000 0.229 599 R C 2.201 178.382 176.300 -0.198 0.000 1.128 599 R CA 1.179 57.181 56.100 -0.164 0.000 0.960 599 R CB 0.050 30.198 30.300 -0.254 0.000 0.855 599 R HN -0.042 nan 8.270 nan 0.000 0.432 600 K N 0.379 120.610 120.400 -0.281 0.000 2.032 600 K HA -0.100 4.221 4.320 0.001 0.000 0.209 600 K C 2.080 178.591 176.600 -0.148 0.000 1.048 600 K CA 1.295 57.428 56.287 -0.258 0.000 0.927 600 K CB -0.516 31.801 32.500 -0.305 0.000 0.712 600 K HN 0.125 nan 8.250 nan 0.000 0.441 601 V N 2.460 122.287 119.914 -0.144 0.000 2.407 601 V HA -0.223 3.897 4.120 0.001 0.000 0.248 601 V C 2.041 178.119 176.094 -0.028 0.000 1.055 601 V CA 1.566 63.806 62.300 -0.100 0.000 1.049 601 V CB -0.485 31.257 31.823 -0.134 0.000 0.662 601 V HN 0.302 nan 8.190 nan 0.000 0.455 602 N N 0.184 118.887 118.700 0.005 0.000 2.142 602 N HA -0.154 4.586 4.740 0.001 0.000 0.186 602 N C 1.847 177.383 175.510 0.043 0.000 1.023 602 N CA 1.459 54.567 53.050 0.096 0.000 0.852 602 N CB -0.213 38.340 38.487 0.110 0.000 0.998 602 N HN 0.608 nan 8.380 nan 0.000 0.424 603 E N -0.270 119.921 120.200 -0.015 0.000 2.051 603 E HA -0.212 4.139 4.350 0.001 0.000 0.192 603 E C 1.749 178.330 176.600 -0.033 0.000 0.991 603 E CA 0.904 57.285 56.400 -0.032 0.000 0.799 603 E CB -0.270 29.385 29.700 -0.074 0.000 0.748 603 E HN 0.449 nan 8.360 nan 0.000 0.449 604 Y N 1.410 121.622 120.300 -0.146 0.000 2.181 604 Y HA -0.192 4.358 4.550 0.001 0.000 0.288 604 Y C 1.975 177.763 175.900 -0.187 0.000 1.146 604 Y CA 1.359 59.367 58.100 -0.154 0.000 1.164 604 Y CB -0.013 38.347 38.460 -0.168 0.000 0.982 604 Y HN -0.058 nan 8.280 nan 0.000 0.515 605 L N 0.036 121.052 121.223 -0.344 0.000 2.156 605 L HA -0.198 4.142 4.340 0.001 0.000 0.208 605 L C 2.200 178.740 176.870 -0.549 0.000 1.095 605 L CA 0.911 55.323 54.840 -0.714 0.000 0.770 605 L CB -0.601 40.566 42.059 -1.488 0.000 0.914 605 L HN 0.325 nan 8.230 nan 0.000 0.439 606 N N 0.195 118.780 118.700 -0.191 0.000 2.142 606 N HA -0.229 4.512 4.740 0.001 0.000 0.186 606 N C 1.766 177.252 175.510 -0.041 0.000 1.023 606 N CA 1.467 54.569 53.050 0.087 0.000 0.852 606 N CB 0.050 38.615 38.487 0.131 0.000 0.998 606 N HN 0.444 nan 8.380 nan 0.000 0.424 607 E N 0.957 121.076 120.200 -0.135 0.000 2.017 607 E HA -0.116 4.235 4.350 0.001 0.000 0.193 607 E C 1.941 178.430 176.600 -0.185 0.000 0.997 607 E CA 1.128 57.439 56.400 -0.148 0.000 0.804 607 E CB -0.021 29.575 29.700 -0.174 0.000 0.757 607 E HN -0.052 nan 8.360 nan 0.000 0.448 608 V N 0.466 120.177 119.914 -0.339 0.000 2.392 608 V HA -0.289 3.831 4.120 0.001 0.000 0.249 608 V C 2.171 178.200 176.094 -0.108 0.000 1.059 608 V CA 1.643 63.770 62.300 -0.288 0.000 1.051 608 V CB -0.257 31.268 31.823 -0.496 0.000 0.658 608 V HN 0.575 nan 8.190 nan 0.000 0.455 609 C N 0.321 119.574 119.300 -0.079 0.000 2.697 609 C HA 0.444 4.905 4.460 0.001 0.000 0.267 609 C C 1.984 176.996 174.990 0.037 0.000 1.278 609 C CA -0.000 59.034 59.018 0.028 0.000 1.708 609 C CB -1.105 26.712 27.740 0.128 0.000 1.860 609 C HN 0.821 nan 8.230 nan 0.000 0.589 610 G N 2.169 110.970 108.800 0.001 0.000 2.187 610 G HA2 -0.270 3.691 3.960 0.001 0.000 0.261 610 G HA3 -0.270 3.691 3.960 0.001 0.000 0.261 610 G C 0.287 175.203 174.900 0.026 0.000 1.000 610 G CA 1.022 46.125 45.100 0.005 0.000 0.718 610 G HN 0.664 nan 8.290 nan 0.000 0.519 611 T N -3.321 111.269 114.554 0.061 0.000 2.880 611 T HA 0.755 5.106 4.350 0.001 0.000 0.279 611 T C -0.225 174.510 174.700 0.059 0.000 0.990 611 T CA -0.296 61.847 62.100 0.072 0.000 0.938 611 T CB 2.647 71.591 68.868 0.127 0.000 1.206 611 T HN 0.250 nan 8.240 nan 0.000 0.573 612 E N -1.145 119.082 120.200 0.045 0.000 2.321 612 E HA 0.471 4.822 4.350 0.001 0.000 0.278 612 E C 0.290 176.903 176.600 0.021 0.000 0.902 612 E CA -0.498 55.920 56.400 0.030 0.000 0.758 612 E CB 1.556 31.261 29.700 0.009 0.000 1.213 612 E HN 1.182 nan 8.360 nan 0.000 0.426 613 G N 2.688 111.503 108.800 0.025 0.000 2.269 613 G HA2 -0.308 3.653 3.960 0.001 0.000 0.277 613 G HA3 -0.308 3.653 3.960 0.001 0.000 0.277 613 G C 0.156 175.055 174.900 -0.002 0.000 1.008 613 G CA 1.139 46.245 45.100 0.010 0.000 0.774 613 G HN 0.413 nan 8.290 nan 0.000 0.511 614 E N 0.241 120.448 120.200 0.011 0.000 2.313 614 E HA 0.638 4.988 4.350 0.001 0.000 0.276 614 E C 0.480 177.012 176.600 -0.115 0.000 1.031 614 E CA 0.293 56.623 56.400 -0.117 0.000 0.857 614 E CB 0.798 30.363 29.700 -0.224 0.000 1.040 614 E HN 0.763 nan 8.360 nan 0.000 0.408 615 A N 5.083 127.793 122.820 -0.183 0.000 2.316 615 A HA 0.333 4.654 4.320 0.001 0.000 0.311 615 A C -0.192 177.293 177.584 -0.165 0.000 1.339 615 A CA -0.364 51.624 52.037 -0.080 0.000 0.960 615 A CB -0.303 18.674 19.000 -0.038 0.000 1.152 615 A HN 0.765 nan 8.150 nan 0.000 0.547 616 F N 2.202 122.171 119.950 0.032 0.000 2.317 616 F HA 0.052 4.580 4.527 0.002 0.000 0.290 616 F C 1.142 176.965 175.800 0.038 0.000 1.075 616 F CA 0.584 58.612 58.000 0.047 0.000 1.380 616 F CB 0.174 39.206 39.000 0.052 0.000 1.093 616 F HN 0.277 nan 8.300 nan 0.000 0.524 617 V N 3.556 123.591 119.914 0.202 0.000 2.439 617 V HA -0.022 4.099 4.120 0.001 0.000 0.271 617 V C 0.853 176.957 176.094 0.017 0.000 1.040 617 V CA 0.051 62.416 62.300 0.109 0.000 1.002 617 V CB 0.624 32.506 31.823 0.099 0.000 1.000 617 V HN 0.276 nan 8.190 nan 0.000 0.477 618 L N 3.842 125.004 121.223 -0.102 0.000 2.556 618 L HA 0.549 4.890 4.340 0.001 0.000 0.226 618 L C 0.235 176.909 176.870 -0.327 0.000 1.089 618 L CA 0.505 55.167 54.840 -0.297 0.000 0.864 618 L CB -0.065 41.567 42.059 -0.713 0.000 1.067 618 L HN 0.513 nan 8.230 nan 0.000 0.477 619 Y N -0.481 119.589 120.300 -0.383 0.000 2.641 619 Y HA 0.677 5.228 4.550 0.001 0.000 0.333 619 Y C -0.886 175.022 175.900 0.012 0.000 1.174 619 Y CA -0.669 57.234 58.100 -0.327 0.000 1.057 619 Y CB 1.775 39.771 38.460 -0.774 0.000 1.322 619 Y HN -0.026 nan 8.280 nan 0.000 0.457 620 G N 2.669 111.031 108.800 -0.730 0.000 2.759 620 G HA2 0.449 4.409 3.960 0.001 0.000 0.297 620 G HA3 0.449 4.409 3.960 0.001 0.000 0.297 620 G C -2.675 171.801 174.900 -0.708 0.000 1.434 620 G CA -0.582 44.265 45.100 -0.422 0.000 0.980 620 G HN 0.473 nan 8.290 nan 0.000 0.531 621 D N 0.808 121.009 120.400 -0.332 0.000 2.478 621 D HA 0.483 5.123 4.640 0.001 0.000 0.240 621 D C 1.123 177.409 176.300 -0.023 0.000 1.364 621 D CA 0.624 54.498 54.000 -0.209 0.000 0.987 621 D CB 1.077 41.812 40.800 -0.108 0.000 1.328 621 D HN 0.503 nan 8.370 nan 0.000 0.584 622 T N 2.630 117.193 114.554 0.015 0.000 13.157 622 T HA -0.306 4.045 4.350 0.001 0.000 0.419 622 T C 0.621 175.333 174.700 0.020 0.000 1.441 622 T CA 2.026 64.143 62.100 0.028 0.000 2.364 622 T CB -1.162 67.681 68.868 -0.042 0.000 2.813 622 T HN 0.627 nan 8.240 nan 0.000 0.644 623 D N 1.622 122.019 120.400 -0.005 0.000 2.563 623 D HA 0.429 5.070 4.640 0.001 0.000 0.237 623 D C 0.124 176.454 176.300 0.050 0.000 1.282 623 D CA 0.524 54.524 54.000 0.000 0.000 0.816 623 D CB 0.115 40.868 40.800 -0.078 0.000 1.066 623 D HN 0.809 nan 8.370 nan 0.000 0.501 624 S N -0.018 115.724 115.700 0.069 0.000 2.588 624 S HA 0.757 5.227 4.470 0.001 0.000 0.275 624 S C -0.513 174.130 174.600 0.072 0.000 1.130 624 S CA -1.042 57.196 58.200 0.062 0.000 0.855 624 S CB 1.753 64.966 63.200 0.022 0.000 1.116 624 S HN 0.356 nan 8.310 nan 0.000 0.472 625 I N -1.004 119.596 120.570 0.050 0.000 2.689 625 I HA 0.727 4.898 4.170 0.001 0.000 0.299 625 I C -1.978 174.144 176.117 0.008 0.000 1.059 625 I CA -1.269 60.092 61.300 0.101 0.000 1.055 625 I CB 1.701 39.777 38.000 0.127 0.000 1.243 625 I HN 0.666 nan 8.210 nan 0.000 0.425 626 Y N 3.837 124.189 120.300 0.087 0.000 2.341 626 Y HA 0.629 5.180 4.550 0.001 0.000 0.338 626 Y C -0.223 175.707 175.900 0.050 0.000 0.965 626 Y CA -0.860 57.291 58.100 0.084 0.000 1.108 626 Y CB 2.139 40.601 38.460 0.003 0.000 1.180 626 Y HN 0.312 nan 8.280 nan 0.000 0.458 627 V N 2.533 122.599 119.914 0.253 0.000 2.459 627 V HA 0.319 4.439 4.120 0.001 0.000 0.295 627 V C 0.057 176.296 176.094 0.241 0.000 1.029 627 V CA -0.966 61.486 62.300 0.253 0.000 0.874 627 V CB 1.774 33.804 31.823 0.345 0.000 0.985 627 V HN 0.791 nan 8.190 nan 0.000 0.438 628 S N 3.512 119.347 115.700 0.224 0.000 2.481 628 S HA 0.435 4.906 4.470 0.001 0.000 0.276 628 S C 0.870 175.647 174.600 0.295 0.000 1.247 628 S CA 0.115 58.463 58.200 0.247 0.000 1.053 628 S CB 0.837 64.171 63.200 0.223 0.000 0.925 628 S HN 1.039 nan 8.310 nan 0.000 0.491 629 A N 4.416 127.391 122.820 0.258 0.000 2.460 629 A HA 0.244 4.564 4.320 0.001 0.000 0.258 629 A C 1.324 178.979 177.584 0.117 0.000 1.300 629 A CA -0.264 51.875 52.037 0.171 0.000 0.913 629 A CB -0.093 18.970 19.000 0.104 0.000 1.031 629 A HN 0.829 nan 8.150 nan 0.000 0.512 630 D N 0.803 121.314 120.400 0.186 0.000 2.104 630 D HA -0.159 4.482 4.640 0.001 0.000 0.194 630 D C 1.609 177.952 176.300 0.072 0.000 0.994 630 D CA 1.320 55.412 54.000 0.153 0.000 0.830 630 D CB 0.084 40.965 40.800 0.134 0.000 0.959 630 D HN 0.229 nan 8.370 nan 0.000 0.452 631 K N 0.601 121.066 120.400 0.107 0.000 2.057 631 K HA 0.006 4.327 4.320 0.001 0.000 0.207 631 K C 2.191 178.853 176.600 0.104 0.000 1.049 631 K CA 0.360 56.721 56.287 0.123 0.000 0.931 631 K CB -0.412 32.231 32.500 0.238 0.000 0.714 631 K HN 0.186 nan 8.250 nan 0.000 0.440 632 I N 0.407 121.024 120.570 0.079 0.000 2.179 632 I HA -0.279 3.891 4.170 0.001 0.000 0.242 632 I C 1.779 177.910 176.117 0.023 0.000 1.088 632 I CA 0.864 62.140 61.300 -0.039 0.000 1.357 632 I CB -0.300 37.515 38.000 -0.308 0.000 1.051 632 I HN 0.093 nan 8.210 nan 0.000 0.409 633 I N 0.653 121.186 120.570 -0.061 0.000 2.252 633 I HA -0.259 3.912 4.170 0.001 0.000 0.245 633 I C 2.128 178.223 176.117 -0.038 0.000 1.102 633 I CA 1.672 62.898 61.300 -0.123 0.000 1.385 633 I CB -1.209 36.431 38.000 -0.599 0.000 1.064 633 I HN 0.286 nan 8.210 nan 0.000 0.414 634 D N 0.685 121.068 120.400 -0.027 0.000 2.144 634 D HA -0.186 4.455 4.640 0.001 0.000 0.200 634 D C 2.092 178.388 176.300 -0.007 0.000 0.978 634 D CA 0.950 54.946 54.000 -0.006 0.000 0.833 634 D CB -0.018 40.787 40.800 0.008 0.000 0.961 634 D HN 0.114 nan 8.370 nan 0.000 0.470 635 K N 0.880 121.287 120.400 0.012 0.000 2.044 635 K HA -0.113 4.207 4.320 0.001 0.000 0.210 635 K C 1.970 178.553 176.600 -0.029 0.000 1.049 635 K CA 0.806 57.102 56.287 0.014 0.000 0.927 635 K CB -0.472 32.060 32.500 0.054 0.000 0.713 635 K HN -0.032 nan 8.250 nan 0.000 0.443 636 V N -0.928 118.948 119.914 -0.063 0.000 2.379 636 V HA 0.075 4.195 4.120 0.001 0.000 0.245 636 V C 0.875 176.836 176.094 -0.222 0.000 1.044 636 V CA 1.135 63.312 62.300 -0.205 0.000 1.036 636 V CB -0.853 30.719 31.823 -0.419 0.000 0.664 636 V HN 0.600 nan 8.190 nan 0.000 0.453 637 G N 0.095 108.817 108.800 -0.131 0.000 3.355 637 G HA2 -0.138 3.823 3.960 0.001 0.000 0.686 637 G HA3 -0.138 3.823 3.960 0.001 0.000 0.686 637 G C 0.074 174.923 174.900 -0.086 0.000 1.097 637 G CA 0.121 45.157 45.100 -0.106 0.000 0.881 637 G HN 0.293 nan 8.290 nan 0.000 0.550 638 E N 0.947 121.171 120.200 0.040 0.000 2.153 638 E HA -0.139 4.211 4.350 0.001 0.000 0.194 638 E C 2.614 179.306 176.600 0.153 0.000 0.988 638 E CA 1.754 58.264 56.400 0.182 0.000 0.811 638 E CB -0.019 29.746 29.700 0.108 0.000 0.746 638 E HN 0.876 nan 8.360 nan 0.000 0.466 639 S N 0.068 115.785 115.700 0.029 0.000 2.507 639 S HA -0.108 4.362 4.470 0.001 0.000 0.235 639 S C 1.725 176.294 174.600 -0.051 0.000 0.988 639 S CA 0.854 59.062 58.200 0.013 0.000 0.944 639 S CB -0.010 63.185 63.200 -0.008 0.000 0.762 639 S HN 0.031 nan 8.310 nan 0.000 0.526 640 K N 0.622 120.898 120.400 -0.206 0.000 2.432 640 K HA 0.269 4.589 4.320 0.001 0.000 0.196 640 K C -0.457 175.872 176.600 -0.451 0.000 1.038 640 K CA 0.069 56.126 56.287 -0.383 0.000 0.986 640 K CB -0.232 31.902 32.500 -0.609 0.000 0.782 640 K HN 0.444 nan 8.250 nan 0.000 0.485 641 F N -0.033 119.908 119.950 -0.014 0.000 2.399 641 F HA 0.360 4.887 4.527 0.001 0.000 0.334 641 F C 1.438 177.396 175.800 0.264 0.000 1.097 641 F CA -0.749 57.312 58.000 0.101 0.000 1.076 641 F CB 1.416 40.433 39.000 0.029 0.000 1.162 641 F HN -0.258 nan 8.300 nan 0.000 0.495 642 R N 0.202 121.094 120.500 0.654 0.000 2.066 642 R HA 0.045 4.385 4.340 0.001 0.000 0.224 642 R C -0.474 175.950 176.300 0.207 0.000 1.122 642 R CA 1.090 57.348 56.100 0.264 0.000 0.974 642 R CB -0.077 30.254 30.300 0.050 0.000 0.871 642 R HN 0.768 nan 8.270 nan 0.000 0.435 643 D N -3.047 117.491 120.400 0.231 0.000 2.664 643 D HA 0.105 4.745 4.640 0.001 0.000 0.292 643 D C 0.331 176.648 176.300 0.028 0.000 1.214 643 D CA -0.643 53.422 54.000 0.109 0.000 0.932 643 D CB 0.391 41.203 40.800 0.021 0.000 1.420 643 D HN -0.296 nan 8.370 nan 0.000 0.471 644 T N -0.343 114.111 114.554 -0.167 0.000 2.684 644 T HA -0.146 4.204 4.350 0.001 0.000 0.267 644 T C 1.421 175.558 174.700 -0.938 0.000 1.036 644 T CA 1.907 63.636 62.100 -0.619 0.000 1.148 644 T CB -0.713 67.641 68.868 -0.857 0.000 0.863 644 T HN 0.506 nan 8.240 nan 0.000 0.436 645 N N -0.317 118.068 118.700 -0.525 0.000 2.348 645 N HA -0.130 4.611 4.740 0.001 0.000 0.185 645 N C 1.758 177.138 175.510 -0.216 0.000 1.019 645 N CA 0.614 53.435 53.050 -0.381 0.000 0.880 645 N CB -0.082 38.296 38.487 -0.181 0.000 0.965 645 N HN 0.560 nan 8.380 nan 0.000 0.437 646 H N -0.117 118.816 119.070 -0.228 0.000 2.307 646 H HA -0.115 4.441 4.556 0.001 0.000 0.303 646 H C 1.964 177.323 175.328 0.051 0.000 1.073 646 H CA 1.366 57.423 56.048 0.014 0.000 1.338 646 H CB -0.024 29.854 29.762 0.192 0.000 1.389 646 H HN 0.462 nan 8.280 nan 0.000 0.503 647 W N 0.679 121.814 121.300 -0.275 0.000 2.467 647 W HA -0.025 4.635 4.660 0.001 0.000 0.275 647 W C 1.356 177.740 176.519 -0.224 0.000 1.239 647 W CA 0.560 57.474 57.345 -0.717 0.000 1.266 647 W CB -0.982 27.652 29.460 -1.378 0.000 1.112 647 W HN 0.011 nan 8.180 nan 0.000 0.576 648 V N 2.276 121.799 119.914 -0.652 0.000 2.358 648 V HA -0.292 3.829 4.120 0.001 0.000 0.246 648 V C 2.344 178.371 176.094 -0.112 0.000 1.047 648 V CA 2.454 64.459 62.300 -0.492 0.000 1.035 648 V CB -0.907 30.480 31.823 -0.727 0.000 0.658 648 V HN 0.001 nan 8.190 nan 0.000 0.452 649 D N -0.412 119.961 120.400 -0.045 0.000 2.117 649 D HA -0.174 4.467 4.640 0.001 0.000 0.197 649 D C 1.914 178.316 176.300 0.170 0.000 0.987 649 D CA 1.303 55.346 54.000 0.072 0.000 0.829 649 D CB -0.251 40.629 40.800 0.134 0.000 0.961 649 D HN 0.463 nan 8.370 nan 0.000 0.460 650 F N 1.567 121.584 119.950 0.112 0.000 2.102 650 F HA -0.122 4.406 4.527 0.001 0.000 0.298 650 F C 2.113 178.028 175.800 0.191 0.000 1.105 650 F CA 1.127 59.235 58.000 0.180 0.000 1.239 650 F CB -0.483 38.674 39.000 0.262 0.000 0.991 650 F HN -0.123 nan 8.300 nan 0.000 0.474 651 L N 0.049 121.216 121.223 -0.093 0.000 2.141 651 L HA -0.175 4.166 4.340 0.001 0.000 0.209 651 L C 2.176 179.024 176.870 -0.037 0.000 1.094 651 L CA 1.674 56.418 54.840 -0.161 0.000 0.763 651 L CB -0.845 41.250 42.059 0.061 0.000 0.908 651 L HN 0.203 nan 8.230 nan 0.000 0.437 652 D N 0.396 120.794 120.400 -0.003 0.000 2.117 652 D HA -0.246 4.394 4.640 0.001 0.000 0.197 652 D C 2.207 178.519 176.300 0.020 0.000 0.987 652 D CA 1.437 55.440 54.000 0.004 0.000 0.829 652 D CB 0.129 40.928 40.800 -0.002 0.000 0.961 652 D HN 0.056 nan 8.370 nan 0.000 0.460 653 K N -1.196 119.218 120.400 0.022 0.000 2.031 653 K HA -0.126 4.194 4.320 0.001 0.000 0.205 653 K C 2.130 178.737 176.600 0.012 0.000 1.049 653 K CA 0.782 57.088 56.287 0.031 0.000 0.939 653 K CB -0.420 32.128 32.500 0.080 0.000 0.717 653 K HN 0.165 nan 8.250 nan 0.000 0.438 654 F N 1.421 121.239 119.950 -0.219 0.000 2.126 654 F HA -0.212 4.316 4.527 0.002 0.000 0.299 654 F C 1.957 177.726 175.800 -0.051 0.000 1.096 654 F CA 1.609 59.481 58.000 -0.214 0.000 1.255 654 F CB -0.376 38.324 39.000 -0.500 0.000 0.997 654 F HN 0.103 nan 8.300 nan 0.000 0.479 655 A N 0.299 123.268 122.820 0.248 0.000 1.855 655 A HA -0.177 4.144 4.320 0.001 0.000 0.215 655 A C 2.352 180.030 177.584 0.156 0.000 1.191 655 A CA 1.681 53.897 52.037 0.299 0.000 0.613 655 A CB -0.831 18.308 19.000 0.232 0.000 0.829 655 A HN 0.446 nan 8.150 nan 0.000 0.442 656 R N -0.275 120.269 120.500 0.073 0.000 2.075 656 R HA -0.103 4.238 4.340 0.001 0.000 0.232 656 R C 1.809 178.099 176.300 -0.016 0.000 1.126 656 R CA 1.811 57.931 56.100 0.034 0.000 0.963 656 R CB -0.188 30.123 30.300 0.019 0.000 0.858 656 R HN 0.636 nan 8.270 nan 0.000 0.435 657 E N -1.295 118.874 120.200 -0.052 0.000 2.340 657 E HA -0.020 4.330 4.350 0.001 0.000 0.194 657 E C 1.669 178.180 176.600 -0.149 0.000 0.996 657 E CA 0.313 56.665 56.400 -0.081 0.000 0.869 657 E CB 0.459 30.123 29.700 -0.060 0.000 0.835 657 E HN 0.094 nan 8.360 nan 0.000 0.493 658 R N -0.296 120.054 120.500 -0.250 0.000 2.107 658 R HA 0.274 4.614 4.340 0.001 0.000 0.195 658 R C 2.039 178.113 176.300 -0.376 0.000 1.214 658 R CA 0.733 56.628 56.100 -0.342 0.000 1.129 658 R CB -0.147 29.720 30.300 -0.722 0.000 1.045 658 R HN 0.008 nan 8.270 nan 0.000 0.489 659 M N 0.417 119.831 119.600 -0.310 0.000 2.099 659 M HA -0.099 4.381 4.480 0.001 0.000 0.262 659 M C 1.803 177.907 176.300 -0.328 0.000 1.067 659 M CA 1.724 56.824 55.300 -0.333 0.000 1.124 659 M CB -0.354 32.208 32.600 -0.063 0.000 1.353 659 M HN 0.157 nan 8.290 nan 0.000 0.410 660 E N 0.108 120.234 120.200 -0.123 0.000 2.070 660 E HA -0.210 4.140 4.350 0.001 0.000 0.197 660 E C -0.640 175.895 176.600 -0.110 0.000 1.004 660 E CA 1.424 57.789 56.400 -0.059 0.000 0.805 660 E CB -1.146 28.584 29.700 0.050 0.000 0.744 660 E HN 0.382 nan 8.360 nan 0.000 0.451 661 P HA -0.141 nan 4.420 nan 0.000 0.218 661 P C 0.943 178.124 177.300 -0.199 0.000 1.149 661 P CA 1.694 64.715 63.100 -0.131 0.000 0.817 661 P CB 0.041 31.665 31.700 -0.126 0.000 0.785 662 A N -0.898 121.690 122.820 -0.386 0.000 1.930 662 A HA -0.135 4.186 4.320 0.001 0.000 0.217 662 A C 2.156 179.540 177.584 -0.333 0.000 1.175 662 A CA 1.216 52.958 52.037 -0.491 0.000 0.627 662 A CB -1.494 16.818 19.000 -1.147 0.000 0.815 662 A HN 0.102 nan 8.150 nan 0.000 0.443 663 I N -0.215 120.171 120.570 -0.307 0.000 2.202 663 I HA -0.213 3.958 4.170 0.001 0.000 0.242 663 I C 2.313 178.403 176.117 -0.046 0.000 1.091 663 I CA 1.685 62.849 61.300 -0.227 0.000 1.368 663 I CB -0.297 37.587 38.000 -0.192 0.000 1.058 663 I HN 0.338 nan 8.210 nan 0.000 0.410 664 D N 0.997 121.430 120.400 0.055 0.000 2.149 664 D HA -0.237 4.404 4.640 0.001 0.000 0.198 664 D C 2.244 178.601 176.300 0.096 0.000 0.990 664 D CA 1.463 55.580 54.000 0.195 0.000 0.839 664 D CB -0.025 40.868 40.800 0.154 0.000 0.948 664 D HN 0.074 nan 8.370 nan 0.000 0.460 665 R N -0.513 119.983 120.500 -0.007 0.000 2.073 665 R HA -0.035 4.306 4.340 0.001 0.000 0.234 665 R C 2.451 178.752 176.300 0.000 0.000 1.134 665 R CA 1.708 57.792 56.100 -0.027 0.000 0.952 665 R CB -0.704 29.557 30.300 -0.066 0.000 0.850 665 R HN 0.271 nan 8.270 nan 0.000 0.433 666 G N -0.415 108.363 108.800 -0.036 0.000 2.440 666 G HA2 -0.252 3.709 3.960 0.001 0.000 0.218 666 G HA3 -0.252 3.709 3.960 0.001 0.000 0.218 666 G C 1.067 176.068 174.900 0.168 0.000 1.154 666 G CA 0.639 45.758 45.100 0.031 0.000 0.767 666 G HN 0.251 nan 8.290 nan 0.000 0.552 667 F N 0.792 120.820 119.950 0.131 0.000 2.259 667 F HA 0.177 4.704 4.527 -0.000 0.000 0.298 667 F C 2.837 178.573 175.800 -0.105 0.000 1.088 667 F CA 0.624 58.653 58.000 0.047 0.000 1.358 667 F CB -0.245 38.864 39.000 0.183 0.000 1.040 667 F HN 0.009 nan 8.300 nan 0.000 0.505 668 R N 0.028 120.495 120.500 -0.056 0.000 2.092 668 R HA -0.177 4.164 4.340 0.001 0.000 0.231 668 R C 2.168 178.441 176.300 -0.045 0.000 1.119 668 R CA 1.468 57.420 56.100 -0.248 0.000 0.970 668 R CB -0.440 29.706 30.300 -0.255 0.000 0.864 668 R HN 0.365 nan 8.270 nan 0.000 0.440 669 E N 0.875 121.108 120.200 0.055 0.000 2.072 669 E HA -0.219 4.131 4.350 0.001 0.000 0.191 669 E C 2.013 178.674 176.600 0.103 0.000 0.985 669 E CA 1.004 57.483 56.400 0.132 0.000 0.801 669 E CB 0.004 29.846 29.700 0.236 0.000 0.750 669 E HN 0.233 nan 8.360 nan 0.000 0.452 670 M N 0.458 120.010 119.600 -0.080 0.000 2.159 670 M HA -0.154 4.327 4.480 0.001 0.000 0.263 670 M C 2.481 178.667 176.300 -0.190 0.000 1.063 670 M CA 1.369 56.307 55.300 -0.602 0.000 1.110 670 M CB -0.332 31.576 32.600 -1.152 0.000 1.374 670 M HN 0.420 nan 8.290 nan 0.000 0.411 671 C N 1.243 120.519 119.300 -0.040 0.000 2.429 671 C HA -0.147 4.314 4.460 0.001 0.000 0.277 671 C C 2.245 177.260 174.990 0.042 0.000 1.262 671 C CA 1.527 60.570 59.018 0.041 0.000 1.733 671 C CB -1.027 26.752 27.740 0.064 0.000 2.010 671 C HN 0.615 nan 8.230 nan 0.000 0.483 672 E N -1.327 118.902 120.200 0.049 0.000 2.107 672 E HA -0.168 4.182 4.350 0.001 0.000 0.191 672 E C 1.914 178.586 176.600 0.120 0.000 0.982 672 E CA 1.207 57.648 56.400 0.068 0.000 0.809 672 E CB -0.403 29.337 29.700 0.067 0.000 0.756 672 E HN 0.815 nan 8.360 nan 0.000 0.459 673 Y N 0.962 121.247 120.300 -0.024 0.000 2.165 673 Y HA -0.170 4.380 4.550 0.000 0.000 0.286 673 Y C 1.847 177.728 175.900 -0.031 0.000 1.155 673 Y CA 1.316 59.411 58.100 -0.009 0.000 1.164 673 Y CB 0.069 38.521 38.460 -0.012 0.000 0.978 673 Y HN -0.029 nan 8.280 nan 0.000 0.513 674 M N 0.390 119.944 119.600 -0.076 0.000 2.561 674 M HA 0.036 4.517 4.480 0.001 0.000 0.238 674 M C 0.674 176.942 176.300 -0.053 0.000 1.131 674 M CA 0.523 55.736 55.300 -0.144 0.000 1.046 674 M CB -1.472 31.122 32.600 -0.010 0.000 1.532 674 M HN 0.376 nan 8.290 nan 0.000 0.497 675 N N 2.288 120.977 118.700 -0.018 0.000 2.710 675 N HA -0.177 4.564 4.740 0.001 0.000 0.249 675 N C -0.727 174.794 175.510 0.019 0.000 1.059 675 N CA 0.280 53.330 53.050 0.001 0.000 0.720 675 N CB -0.892 37.582 38.487 -0.021 0.000 0.983 675 N HN 0.350 nan 8.380 nan 0.000 0.544 676 N N 0.651 119.367 118.700 0.026 0.000 2.415 676 N HA -0.023 4.718 4.740 0.001 0.000 0.248 676 N C 1.412 176.923 175.510 0.002 0.000 1.271 676 N CA 0.096 53.150 53.050 0.008 0.000 0.913 676 N CB 0.449 38.933 38.487 -0.006 0.000 1.129 676 N HN 0.411 nan 8.380 nan 0.000 0.444 677 K N 0.114 120.501 120.400 -0.021 0.000 2.057 677 K HA -0.154 4.167 4.320 0.001 0.000 0.207 677 K C 0.083 176.675 176.600 -0.014 0.000 1.049 677 K CA 1.326 57.605 56.287 -0.012 0.000 0.931 677 K CB 0.215 32.698 32.500 -0.028 0.000 0.714 677 K HN 0.739 nan 8.250 nan 0.000 0.440 678 Q N -0.874 118.902 119.800 -0.039 0.000 2.386 678 Q HA 0.106 4.447 4.340 0.001 0.000 0.274 678 Q C -1.591 174.392 176.000 -0.028 0.000 1.011 678 Q CA -1.023 54.770 55.803 -0.017 0.000 0.867 678 Q CB 0.839 29.554 28.738 -0.039 0.000 1.409 678 Q HN 0.148 nan 8.270 nan 0.000 0.395 679 H N 3.131 122.157 119.070 -0.072 0.000 3.017 679 H HA 0.290 4.846 4.556 0.001 0.000 0.276 679 H C -0.618 174.536 175.328 -0.290 0.000 1.062 679 H CA 0.207 56.189 56.048 -0.111 0.000 1.486 679 H CB 0.344 30.112 29.762 0.009 0.000 1.507 679 H HN 0.708 nan 8.280 nan 0.000 0.508 680 L N 4.675 125.384 121.223 -0.856 0.000 3.259 680 L HA 0.198 4.539 4.340 0.001 0.000 0.292 680 L C -0.191 175.747 176.870 -1.553 0.000 1.219 680 L CA -0.179 53.829 54.840 -1.386 0.000 1.035 680 L CB 0.307 41.898 42.059 -0.781 0.000 1.424 680 L HN 0.594 nan 8.230 nan 0.000 0.603 681 M N 1.663 120.568 119.600 -1.159 0.000 2.775 681 M HA 0.226 4.707 4.480 0.001 0.000 0.313 681 M C -1.025 174.872 176.300 -0.671 0.000 1.429 681 M CA 0.313 55.053 55.300 -0.932 0.000 1.494 681 M CB -0.746 31.142 32.600 -1.188 0.000 1.274 681 M HN -0.115 nan 8.290 nan 0.000 0.491 682 F N 3.449 123.210 119.950 -0.315 0.000 2.332 682 F HA 0.528 5.055 4.527 -0.000 0.000 0.368 682 F C 0.285 176.063 175.800 -0.036 0.000 1.110 682 F CA -1.052 56.870 58.000 -0.130 0.000 1.087 682 F CB 0.613 39.540 39.000 -0.121 0.000 1.235 682 F HN 0.444 nan 8.300 nan 0.000 0.470 683 M N 5.047 124.812 119.600 0.276 0.000 2.311 683 M HA 0.514 4.995 4.480 0.001 0.000 0.325 683 M C -1.795 174.668 176.300 0.273 0.000 1.061 683 M CA -0.257 55.203 55.300 0.268 0.000 0.957 683 M CB 1.566 34.397 32.600 0.384 0.000 1.646 683 M HN 0.696 nan 8.290 nan 0.000 0.434 684 D N 2.196 122.751 120.400 0.259 0.000 2.596 684 D HA 0.382 5.023 4.640 0.001 0.000 0.262 684 D C -1.073 175.368 176.300 0.235 0.000 1.210 684 D CA -0.949 53.217 54.000 0.276 0.000 0.873 684 D CB 0.871 41.757 40.800 0.143 0.000 1.408 684 D HN 0.448 nan 8.370 nan 0.000 0.441 685 R N 0.550 121.115 120.500 0.108 0.000 2.583 685 R HA -0.004 4.336 4.340 0.001 0.000 0.274 685 R C 0.207 176.374 176.300 -0.222 0.000 0.998 685 R CA 0.608 56.499 56.100 -0.348 0.000 1.081 685 R CB 0.620 30.719 30.300 -0.336 0.000 0.940 685 R HN 0.880 nan 8.270 nan 0.000 0.413 686 E N 2.665 122.687 120.200 -0.297 0.000 2.329 686 E HA 0.230 4.581 4.350 0.001 0.000 0.189 686 E C -0.613 175.914 176.600 -0.122 0.000 0.997 686 E CA 0.107 56.416 56.400 -0.152 0.000 1.062 686 E CB 0.429 30.056 29.700 -0.121 0.000 1.260 686 E HN 0.648 nan 8.360 nan 0.000 0.490 687 A N 0.677 123.423 122.820 -0.123 0.000 2.384 687 A HA 0.703 5.023 4.320 0.001 0.000 0.312 687 A C -0.998 176.592 177.584 0.010 0.000 1.113 687 A CA -0.665 51.362 52.037 -0.015 0.000 0.779 687 A CB 1.106 20.155 19.000 0.083 0.000 1.307 687 A HN 0.358 nan 8.150 nan 0.000 0.436 688 I N 0.743 121.380 120.570 0.112 0.000 2.478 688 I HA 0.591 4.762 4.170 0.001 0.000 0.287 688 I C 0.097 176.445 176.117 0.385 0.000 1.042 688 I CA -0.247 61.186 61.300 0.221 0.000 1.067 688 I CB 1.967 40.077 38.000 0.184 0.000 1.233 688 I HN 0.786 nan 8.210 nan 0.000 0.431 689 A N 4.371 127.474 122.820 0.472 0.000 2.454 689 A HA 1.041 5.362 4.320 0.001 0.000 0.302 689 A C -0.381 177.590 177.584 0.644 0.000 1.079 689 A CA -0.453 51.905 52.037 0.536 0.000 0.731 689 A CB 2.022 21.224 19.000 0.337 0.000 1.299 689 A HN 0.909 nan 8.150 nan 0.000 0.413 690 G N 0.034 109.245 108.800 0.685 0.000 2.316 690 G HA2 0.567 4.528 3.960 0.001 0.000 0.296 690 G HA3 0.567 4.528 3.960 0.001 0.000 0.296 690 G C -3.572 171.647 174.900 0.531 0.000 1.399 690 G CA -0.460 44.845 45.100 0.342 0.000 0.833 690 G HN 0.637 nan 8.290 nan 0.000 0.565 691 P HA 0.416 nan 4.420 nan 0.000 0.276 691 P C -2.777 174.809 177.300 0.477 0.000 1.244 691 P CA -1.438 61.829 63.100 0.278 0.000 0.801 691 P CB 0.830 32.553 31.700 0.038 0.000 1.006 692 P HA 0.104 nan 4.420 nan 0.000 0.269 692 P C 0.207 177.675 177.300 0.281 0.000 1.209 692 P CA 0.036 63.387 63.100 0.418 0.000 0.776 692 P CB 0.317 32.262 31.700 0.408 0.000 0.876 693 L N 2.379 123.762 121.223 0.267 0.000 2.490 693 L HA 0.139 4.480 4.340 0.001 0.000 0.274 693 L C 1.451 178.419 176.870 0.164 0.000 1.201 693 L CA 1.161 56.153 54.840 0.253 0.000 0.869 693 L CB -0.500 41.727 42.059 0.280 0.000 1.123 693 L HN 0.816 nan 8.230 nan 0.000 0.484 694 G N 2.154 111.035 108.800 0.135 0.000 2.184 694 G HA2 -0.306 3.654 3.960 0.001 0.000 0.264 694 G HA3 -0.306 3.654 3.960 0.001 0.000 0.264 694 G C 0.259 175.211 174.900 0.087 0.000 0.975 694 G CA 0.484 45.645 45.100 0.101 0.000 0.642 694 G HN 0.888 nan 8.290 nan 0.000 0.536 695 S N -1.202 114.557 115.700 0.098 0.000 2.758 695 S HA 0.744 5.215 4.470 0.001 0.000 0.292 695 S C 0.702 175.339 174.600 0.062 0.000 1.131 695 S CA -0.073 58.180 58.200 0.087 0.000 0.997 695 S CB 1.688 64.958 63.200 0.117 0.000 1.111 695 S HN 0.203 nan 8.310 nan 0.000 0.552 696 K N 0.108 120.539 120.400 0.052 0.000 2.399 696 K HA 0.249 4.570 4.320 0.001 0.000 0.204 696 K C 0.887 177.505 176.600 0.031 0.000 1.023 696 K CA -0.107 56.199 56.287 0.032 0.000 1.127 696 K CB 0.199 32.714 32.500 0.025 0.000 0.856 696 K HN 0.743 nan 8.250 nan 0.000 0.514 697 G N 1.460 110.291 108.800 0.050 0.000 2.559 697 G HA2 0.026 3.986 3.960 0.001 0.000 0.235 697 G HA3 0.026 3.986 3.960 0.001 0.000 0.235 697 G C 0.868 175.784 174.900 0.025 0.000 1.266 697 G CA -0.353 44.780 45.100 0.056 0.000 0.847 697 G HN 0.371 nan 8.290 nan 0.000 0.583 698 I N -0.483 120.111 120.570 0.040 0.000 3.728 698 I HA 0.342 4.513 4.170 0.001 0.000 0.307 698 I C 1.693 177.830 176.117 0.034 0.000 1.276 698 I CA 0.565 61.881 61.300 0.027 0.000 1.285 698 I CB 0.099 38.131 38.000 0.053 0.000 1.038 698 I HN 0.817 nan 8.210 nan 0.000 0.445 699 G N 1.381 110.215 108.800 0.056 0.000 2.990 699 G HA2 -0.195 3.766 3.960 0.001 0.000 0.225 699 G HA3 -0.195 3.766 3.960 0.001 0.000 0.225 699 G C 0.519 175.497 174.900 0.131 0.000 1.304 699 G CA -0.001 45.142 45.100 0.071 0.000 0.816 699 G HN 1.238 nan 8.290 nan 0.000 0.528 700 G N -1.170 107.745 108.800 0.192 0.000 2.523 700 G HA2 0.818 4.779 3.960 0.001 0.000 0.291 700 G HA3 0.818 4.779 3.960 0.001 0.000 0.291 700 G C -1.037 174.096 174.900 0.388 0.000 1.450 700 G CA 0.055 45.272 45.100 0.195 0.000 0.790 700 G HN 1.802 nan 8.290 nan 0.000 0.496 701 F N -2.232 117.807 119.950 0.148 0.000 2.678 701 F HA 0.829 5.357 4.527 0.001 0.000 0.308 701 F C -1.815 174.094 175.800 0.181 0.000 1.118 701 F CA -1.981 56.185 58.000 0.276 0.000 0.959 701 F CB 1.440 40.515 39.000 0.124 0.000 1.305 701 F HN 0.563 nan 8.300 nan 0.000 0.443 702 W N 2.199 123.669 121.300 0.284 0.000 2.702 702 W HA 0.367 5.027 4.660 0.001 0.000 0.331 702 W C 0.176 176.823 176.519 0.213 0.000 1.049 702 W CA -0.223 57.168 57.345 0.076 0.000 1.230 702 W CB 2.811 32.211 29.460 -0.101 0.000 1.408 702 W HN 0.882 nan 8.180 nan 0.000 0.492 703 T N -0.495 114.235 114.554 0.292 0.000 2.990 703 T HA 0.449 4.799 4.350 0.001 0.000 0.249 703 T C 0.574 175.391 174.700 0.195 0.000 1.039 703 T CA 0.680 62.942 62.100 0.269 0.000 1.036 703 T CB 1.190 70.216 68.868 0.264 0.000 0.994 703 T HN 0.574 nan 8.240 nan 0.000 0.489 704 G N 0.602 109.508 108.800 0.177 0.000 2.323 704 G HA2 0.348 4.308 3.960 0.001 0.000 0.291 704 G HA3 0.348 4.308 3.960 0.001 0.000 0.291 704 G C -1.876 173.098 174.900 0.125 0.000 1.278 704 G CA -1.225 43.961 45.100 0.143 0.000 0.860 704 G HN 0.252 nan 8.290 nan 0.000 0.504 705 K N 1.015 121.496 120.400 0.134 0.000 2.511 705 K HA 0.171 4.492 4.320 0.001 0.000 0.280 705 K C 0.300 176.991 176.600 0.152 0.000 1.008 705 K CA 0.848 57.252 56.287 0.195 0.000 1.050 705 K CB 0.253 32.861 32.500 0.180 0.000 0.889 705 K HN 0.634 nan 8.250 nan 0.000 0.484 706 K N 1.209 121.746 120.400 0.230 0.000 3.130 706 K HA -0.265 4.056 4.320 0.001 0.000 0.282 706 K C -0.588 175.980 176.600 -0.053 0.000 1.145 706 K CA 1.135 57.527 56.287 0.175 0.000 0.831 706 K CB -0.901 31.684 32.500 0.141 0.000 1.226 706 K HN 0.578 nan 8.250 nan 0.000 0.478 707 R N 0.491 120.935 120.500 -0.093 0.000 2.467 707 R HA 0.370 4.711 4.340 0.001 0.000 0.299 707 R C -0.874 175.175 176.300 -0.418 0.000 1.120 707 R CA -0.740 55.215 56.100 -0.242 0.000 0.940 707 R CB 0.808 31.067 30.300 -0.069 0.000 1.161 707 R HN 0.239 nan 8.270 nan 0.000 0.506 708 Y N -1.033 118.788 120.300 -0.799 0.000 2.741 708 Y HA 0.774 5.325 4.550 0.001 0.000 0.339 708 Y C -1.955 173.254 175.900 -1.150 0.000 1.226 708 Y CA -1.443 55.894 58.100 -1.271 0.000 1.072 708 Y CB 1.177 38.229 38.460 -2.348 0.000 1.331 708 Y HN 0.422 nan 8.280 nan 0.000 0.453 709 A N 1.872 124.007 122.820 -1.142 0.000 2.455 709 A HA 0.837 5.157 4.320 0.001 0.000 0.300 709 A C -2.065 175.213 177.584 -0.510 0.000 1.040 709 A CA -0.757 50.779 52.037 -0.835 0.000 0.697 709 A CB 1.333 19.761 19.000 -0.953 0.000 1.265 709 A HN 0.783 nan 8.150 nan 0.000 0.407 710 L N 1.354 122.425 121.223 -0.253 0.000 2.401 710 L HA 0.473 4.813 4.340 0.001 0.000 0.266 710 L C -0.457 176.382 176.870 -0.051 0.000 0.991 710 L CA -0.921 53.875 54.840 -0.073 0.000 0.818 710 L CB 2.508 44.601 42.059 0.056 0.000 1.321 710 L HN 0.785 nan 8.230 nan 0.000 0.413 711 N N 1.565 120.264 118.700 -0.002 0.000 2.678 711 N HA 0.321 5.061 4.740 0.001 0.000 0.231 711 N C -1.081 174.370 175.510 -0.099 0.000 1.038 711 N CA -0.294 52.705 53.050 -0.084 0.000 0.932 711 N CB 0.841 39.308 38.487 -0.033 0.000 1.176 711 N HN 0.254 nan 8.380 nan 0.000 0.511 712 V N 3.612 123.460 119.914 -0.109 0.000 2.530 712 V HA 0.140 4.261 4.120 0.001 0.000 0.282 712 V C 0.452 176.493 176.094 -0.088 0.000 1.048 712 V CA -0.164 62.145 62.300 0.015 0.000 0.997 712 V CB 0.872 32.776 31.823 0.135 0.000 0.987 712 V HN 0.748 nan 8.190 nan 0.000 0.477 713 W N 0.745 122.149 121.300 0.174 0.000 2.792 713 W HA 0.280 4.941 4.660 0.001 0.000 0.262 713 W C 0.758 177.246 176.519 -0.052 0.000 1.212 713 W CA -0.034 57.368 57.345 0.094 0.000 1.433 713 W CB 0.646 30.067 29.460 -0.065 0.000 1.004 713 W HN 0.488 nan 8.180 nan 0.000 0.608 714 D N 0.242 120.698 120.400 0.094 0.000 2.934 714 D HA 0.270 4.911 4.640 0.001 0.000 0.230 714 D C -1.437 174.775 176.300 -0.146 0.000 1.204 714 D CA -0.486 53.413 54.000 -0.168 0.000 0.873 714 D CB 1.886 42.635 40.800 -0.084 0.000 1.645 714 D HN -0.223 nan 8.370 nan 0.000 0.502 715 M N 3.342 122.772 119.600 -0.284 0.000 2.022 715 M HA 0.235 4.715 4.480 0.001 0.000 0.298 715 M C -0.848 175.390 176.300 -0.102 0.000 0.909 715 M CA -0.014 55.224 55.300 -0.102 0.000 0.914 715 M CB 0.536 33.159 32.600 0.039 0.000 1.486 715 M HN 0.399 nan 8.290 nan 0.000 0.415 716 E N 3.569 123.723 120.200 -0.077 0.000 2.210 716 E HA -0.232 4.119 4.350 0.001 0.000 0.201 716 E C 0.890 177.448 176.600 -0.070 0.000 1.339 716 E CA 0.865 57.227 56.400 -0.063 0.000 0.699 716 E CB -1.742 27.936 29.700 -0.036 0.000 1.126 716 E HN 1.288 nan 8.360 nan 0.000 0.355 717 G N 0.119 108.868 108.800 -0.085 0.000 2.320 717 G HA2 -0.385 3.575 3.960 0.001 0.000 0.242 717 G HA3 -0.385 3.575 3.960 0.001 0.000 0.242 717 G C 0.463 175.298 174.900 -0.108 0.000 1.033 717 G CA 0.583 45.635 45.100 -0.079 0.000 0.620 717 G HN 0.949 nan 8.290 nan 0.000 0.517 718 T N -0.174 114.286 114.554 -0.156 0.000 2.727 718 T HA 0.626 4.976 4.350 0.001 0.000 0.298 718 T C 0.205 174.665 174.700 -0.399 0.000 0.942 718 T CA -0.159 61.818 62.100 -0.205 0.000 0.997 718 T CB 1.367 70.146 68.868 -0.148 0.000 0.917 718 T HN 0.557 nan 8.240 nan 0.000 0.487 719 R N 3.667 124.017 120.500 -0.250 0.000 2.340 719 R HA 0.384 4.724 4.340 0.001 0.000 0.300 719 R C -1.247 174.969 176.300 -0.140 0.000 1.069 719 R CA -0.542 55.429 56.100 -0.215 0.000 0.984 719 R CB -0.115 30.140 30.300 -0.075 0.000 1.003 719 R HN 0.678 nan 8.270 nan 0.000 0.459 720 Y N 2.515 122.864 120.300 0.082 0.000 2.310 720 Y HA 0.359 4.910 4.550 0.001 0.000 0.326 720 Y C 1.202 177.166 175.900 0.107 0.000 1.151 720 Y CA -0.495 57.641 58.100 0.060 0.000 1.195 720 Y CB 1.499 39.963 38.460 0.006 0.000 1.210 720 Y HN 0.780 nan 8.280 nan 0.000 0.483 721 A N 1.562 124.528 122.820 0.242 0.000 1.872 721 A HA -0.012 4.308 4.320 0.001 0.000 0.214 721 A C 0.584 178.283 177.584 0.192 0.000 1.187 721 A CA 0.992 53.139 52.037 0.183 0.000 0.614 721 A CB -0.149 18.920 19.000 0.115 0.000 0.826 721 A HN 0.629 nan 8.150 nan 0.000 0.442 722 E N 0.539 120.798 120.200 0.099 0.000 2.156 722 E HA 0.414 4.764 4.350 0.001 0.000 0.279 722 E C -2.645 173.869 176.600 -0.142 0.000 0.965 722 E CA -2.575 53.822 56.400 -0.004 0.000 0.789 722 E CB 0.795 30.469 29.700 -0.042 0.000 1.098 722 E HN 0.197 nan 8.360 nan 0.000 0.397 723 P HA 0.035 nan 4.420 nan 0.000 0.269 723 P C -0.552 176.500 177.300 -0.413 0.000 1.217 723 P CA 0.122 62.801 63.100 -0.701 0.000 0.783 723 P CB 0.665 31.586 31.700 -1.299 0.000 0.898 724 K N 1.469 121.654 120.400 -0.359 0.000 2.292 724 K HA 0.435 4.755 4.320 0.001 0.000 0.257 724 K C -0.515 175.954 176.600 -0.218 0.000 0.940 724 K CA -0.746 55.359 56.287 -0.303 0.000 0.811 724 K CB 1.285 33.546 32.500 -0.398 0.000 1.120 724 K HN 0.377 nan 8.250 nan 0.000 0.428 725 L N 3.434 124.546 121.223 -0.186 0.000 2.315 725 L HA 0.223 4.564 4.340 0.001 0.000 0.283 725 L C 0.287 177.071 176.870 -0.143 0.000 1.089 725 L CA -0.205 54.540 54.840 -0.158 0.000 0.833 725 L CB 0.357 42.327 42.059 -0.149 0.000 1.170 725 L HN 0.420 nan 8.230 nan 0.000 0.442 726 K N 5.876 126.199 120.400 -0.128 0.000 2.268 726 K HA 0.495 4.815 4.320 0.001 0.000 0.276 726 K C -0.883 175.565 176.600 -0.253 0.000 1.080 726 K CA -0.386 55.829 56.287 -0.120 0.000 0.910 726 K CB 0.531 33.026 32.500 -0.008 0.000 1.163 726 K HN 0.520 nan 8.250 nan 0.000 0.465 727 I N 5.044 125.437 120.570 -0.296 0.000 2.404 727 I HA 0.384 4.555 4.170 0.001 0.000 0.293 727 I C -0.377 175.447 176.117 -0.489 0.000 0.992 727 I CA -0.804 60.234 61.300 -0.436 0.000 1.149 727 I CB 1.859 39.660 38.000 -0.332 0.000 1.315 727 I HN 0.577 nan 8.210 nan 0.000 0.446 728 M N 4.450 123.601 119.600 -0.747 0.000 2.326 728 M HA 0.486 4.967 4.480 0.001 0.000 0.292 728 M C 0.523 176.506 176.300 -0.529 0.000 1.081 728 M CA -0.047 54.858 55.300 -0.659 0.000 0.919 728 M CB 1.957 34.016 32.600 -0.902 0.000 1.634 728 M HN 0.808 nan 8.290 nan 0.000 0.451 729 G N 3.508 112.131 108.800 -0.295 0.000 2.203 729 G HA2 -0.237 3.723 3.960 0.001 0.000 0.263 729 G HA3 -0.237 3.723 3.960 0.001 0.000 0.263 729 G C 0.121 174.948 174.900 -0.122 0.000 1.012 729 G CA 0.671 45.665 45.100 -0.176 0.000 0.749 729 G HN 0.700 nan 8.290 nan 0.000 0.512 730 L N -0.522 120.615 121.223 -0.142 0.000 2.607 730 L HA 0.246 4.587 4.340 0.001 0.000 0.228 730 L C 1.240 178.183 176.870 0.122 0.000 1.123 730 L CA 0.533 55.374 54.840 0.002 0.000 0.890 730 L CB -0.256 41.653 42.059 -0.250 0.000 1.103 730 L HN 0.440 nan 8.230 nan 0.000 0.468 731 E N -0.351 119.863 120.200 0.023 0.000 2.440 731 E HA -0.268 4.082 4.350 0.001 0.000 0.246 731 E C 1.004 177.634 176.600 0.050 0.000 1.165 731 E CA 0.651 57.067 56.400 0.026 0.000 0.726 731 E CB -1.559 28.161 29.700 0.033 0.000 1.271 731 E HN 0.644 nan 8.360 nan 0.000 0.397 732 T N -3.703 110.873 114.554 0.037 0.000 3.100 732 T HA 0.013 4.364 4.350 0.001 0.000 0.253 732 T C 1.349 176.056 174.700 0.012 0.000 1.118 732 T CA 0.443 62.574 62.100 0.052 0.000 1.058 732 T CB 0.305 69.196 68.868 0.038 0.000 0.953 732 T HN 0.248 nan 8.240 nan 0.000 0.515 733 Q N -0.211 119.576 119.800 -0.022 0.000 2.164 733 Q HA 0.296 4.637 4.340 0.001 0.000 0.226 733 Q C 0.191 176.143 176.000 -0.081 0.000 0.813 733 Q CA -0.290 55.485 55.803 -0.047 0.000 0.978 733 Q CB 0.729 29.432 28.738 -0.059 0.000 1.149 733 Q HN 0.412 nan 8.270 nan 0.000 0.489 734 K N 0.684 121.049 120.400 -0.059 0.000 2.489 734 K HA 0.051 4.372 4.320 0.001 0.000 0.278 734 K C 0.689 177.241 176.600 -0.080 0.000 1.000 734 K CA 0.018 56.263 56.287 -0.070 0.000 1.012 734 K CB 0.720 33.193 32.500 -0.044 0.000 0.903 734 K HN -0.044 nan 8.250 nan 0.000 0.485 735 S N 1.257 116.892 115.700 -0.108 0.000 2.419 735 S HA -0.156 4.315 4.470 0.001 0.000 0.235 735 S C 1.611 176.158 174.600 -0.089 0.000 1.019 735 S CA 1.651 59.782 58.200 -0.115 0.000 0.982 735 S CB -0.140 62.978 63.200 -0.136 0.000 0.789 735 S HN 0.817 nan 8.310 nan 0.000 0.490 736 S N 0.441 116.094 115.700 -0.080 0.000 2.522 736 S HA 0.027 4.498 4.470 0.001 0.000 0.227 736 S C 0.712 175.296 174.600 -0.027 0.000 0.986 736 S CA 0.126 58.284 58.200 -0.070 0.000 0.929 736 S CB -0.433 62.719 63.200 -0.081 0.000 0.769 736 S HN 0.281 nan 8.310 nan 0.000 0.529 737 T N 4.964 119.510 114.554 -0.013 0.000 2.794 737 T HA 0.382 4.733 4.350 0.001 0.000 0.296 737 T C -2.683 172.043 174.700 0.045 0.000 0.949 737 T CA -1.193 60.922 62.100 0.025 0.000 1.101 737 T CB 1.012 69.899 68.868 0.030 0.000 0.905 737 T HN 0.153 nan 8.240 nan 0.000 0.516 738 P HA 0.113 nan 4.420 nan 0.000 0.265 738 P C 0.696 178.048 177.300 0.085 0.000 1.187 738 P CA -0.301 62.855 63.100 0.093 0.000 0.766 738 P CB 0.633 32.417 31.700 0.140 0.000 0.820 739 K N 3.229 123.668 120.400 0.065 0.000 2.034 739 K HA -0.222 4.098 4.320 0.001 0.000 0.214 739 K C 2.023 178.668 176.600 0.074 0.000 1.051 739 K CA 2.511 58.831 56.287 0.054 0.000 0.931 739 K CB -1.267 31.252 32.500 0.032 0.000 0.715 739 K HN 0.518 nan 8.250 nan 0.000 0.446 740 A N -0.072 122.810 122.820 0.104 0.000 1.969 740 A HA -0.092 4.229 4.320 0.001 0.000 0.218 740 A C 2.309 179.983 177.584 0.149 0.000 1.169 740 A CA 1.544 53.679 52.037 0.164 0.000 0.635 740 A CB -0.462 18.677 19.000 0.231 0.000 0.810 740 A HN 0.095 nan 8.150 nan 0.000 0.445 741 V N -0.301 119.702 119.914 0.149 0.000 2.548 741 V HA -0.252 3.869 4.120 0.001 0.000 0.249 741 V C 2.533 178.666 176.094 0.066 0.000 1.055 741 V CA 1.925 64.271 62.300 0.076 0.000 1.065 741 V CB -0.767 31.168 31.823 0.187 0.000 0.681 741 V HN 0.620 nan 8.190 nan 0.000 0.462 742 Q N 0.014 119.857 119.800 0.072 0.000 2.061 742 Q HA -0.251 4.089 4.340 0.001 0.000 0.204 742 Q C 2.322 178.350 176.000 0.048 0.000 0.984 742 Q CA 1.757 57.596 55.803 0.060 0.000 0.846 742 Q CB -0.177 28.587 28.738 0.044 0.000 0.902 742 Q HN 0.605 nan 8.270 nan 0.000 0.421 743 K N 0.055 120.479 120.400 0.039 0.000 2.103 743 K HA -0.053 4.268 4.320 0.001 0.000 0.204 743 K C 2.082 178.692 176.600 0.018 0.000 1.052 743 K CA 0.980 57.285 56.287 0.030 0.000 0.945 743 K CB -0.103 32.426 32.500 0.048 0.000 0.722 743 K HN 0.121 nan 8.250 nan 0.000 0.443 744 A N 1.578 124.373 122.820 -0.043 0.000 1.877 744 A HA -0.118 4.202 4.320 0.001 0.000 0.216 744 A C 2.135 179.820 177.584 0.168 0.000 1.186 744 A CA 1.210 53.191 52.037 -0.092 0.000 0.620 744 A CB -0.673 17.703 19.000 -1.040 0.000 0.822 744 A HN 0.139 nan 8.150 nan 0.000 0.443 745 L N -0.645 120.697 121.223 0.199 0.000 2.083 745 L HA -0.202 4.139 4.340 0.001 0.000 0.209 745 L C 2.651 179.629 176.870 0.179 0.000 1.083 745 L CA 1.913 56.921 54.840 0.279 0.000 0.752 745 L CB -0.418 41.812 42.059 0.286 0.000 0.899 745 L HN 0.487 nan 8.230 nan 0.000 0.433 746 K N 0.405 120.854 120.400 0.081 0.000 2.026 746 K HA -0.263 4.058 4.320 0.001 0.000 0.208 746 K C 2.095 178.678 176.600 -0.029 0.000 1.048 746 K CA 1.736 58.027 56.287 0.007 0.000 0.929 746 K CB 0.028 32.517 32.500 -0.018 0.000 0.713 746 K HN 0.050 nan 8.250 nan 0.000 0.439 747 E N 0.711 120.866 120.200 -0.074 0.000 2.118 747 E HA -0.184 4.166 4.350 0.001 0.000 0.195 747 E C 1.801 178.288 176.600 -0.188 0.000 0.992 747 E CA 1.678 57.936 56.400 -0.237 0.000 0.804 747 E CB -0.529 28.848 29.700 -0.538 0.000 0.741 747 E HN 0.399 nan 8.360 nan 0.000 0.458 748 C N -0.155 119.155 119.300 0.017 0.000 2.429 748 C HA -0.053 4.407 4.460 0.001 0.000 0.277 748 C C 2.636 177.695 174.990 0.115 0.000 1.262 748 C CA 0.764 59.886 59.018 0.174 0.000 1.733 748 C CB -0.978 26.950 27.740 0.313 0.000 2.010 748 C HN 0.482 nan 8.230 nan 0.000 0.483 749 I N 0.151 120.777 120.570 0.092 0.000 2.252 749 I HA -0.168 4.002 4.170 0.001 0.000 0.245 749 I C 2.840 178.980 176.117 0.039 0.000 1.102 749 I CA 1.270 62.617 61.300 0.079 0.000 1.385 749 I CB -0.604 37.392 38.000 -0.008 0.000 1.064 749 I HN 0.316 nan 8.210 nan 0.000 0.414 750 R N 1.308 121.798 120.500 -0.018 0.000 2.083 750 R HA -0.189 4.152 4.340 0.001 0.000 0.237 750 R C 2.463 178.758 176.300 -0.008 0.000 1.137 750 R CA 1.646 57.724 56.100 -0.037 0.000 0.951 750 R CB -0.130 30.125 30.300 -0.075 0.000 0.851 750 R HN 0.261 nan 8.270 nan 0.000 0.434 751 R N -0.186 120.307 120.500 -0.011 0.000 2.081 751 R HA -0.092 4.249 4.340 0.001 0.000 0.235 751 R C 2.467 178.799 176.300 0.053 0.000 1.131 751 R CA 2.073 58.185 56.100 0.020 0.000 0.960 751 R CB -0.265 30.052 30.300 0.027 0.000 0.856 751 R HN 0.287 nan 8.270 nan 0.000 0.436 752 M N 0.377 120.017 119.600 0.066 0.000 2.065 752 M HA -0.201 4.280 4.480 0.001 0.000 0.259 752 M C 2.169 178.517 176.300 0.080 0.000 1.069 752 M CA 1.773 57.112 55.300 0.066 0.000 1.110 752 M CB -0.286 32.346 32.600 0.054 0.000 1.328 752 M HN 0.142 nan 8.290 nan 0.000 0.405 753 L N -0.877 120.405 121.223 0.098 0.000 2.156 753 L HA -0.169 4.171 4.340 0.001 0.000 0.208 753 L C 2.159 179.082 176.870 0.088 0.000 1.095 753 L CA 1.173 56.073 54.840 0.099 0.000 0.770 753 L CB -0.650 41.456 42.059 0.080 0.000 0.914 753 L HN 0.444 nan 8.230 nan 0.000 0.439 754 Q N -0.768 119.077 119.800 0.075 0.000 2.392 754 Q HA 0.018 4.358 4.340 0.001 0.000 0.219 754 Q C 1.231 177.290 176.000 0.098 0.000 0.895 754 Q CA 0.415 56.277 55.803 0.100 0.000 0.929 754 Q CB 0.646 29.427 28.738 0.071 0.000 1.077 754 Q HN 0.517 nan 8.270 nan 0.000 0.532 755 E N -0.309 119.935 120.200 0.074 0.000 2.441 755 E HA 0.264 4.615 4.350 0.001 0.000 0.212 755 E C 0.360 176.995 176.600 0.059 0.000 0.840 755 E CA 0.286 56.727 56.400 0.069 0.000 1.143 755 E CB 1.552 31.290 29.700 0.063 0.000 1.153 755 E HN 0.236 nan 8.360 nan 0.000 0.539 756 G N 1.533 110.366 108.800 0.054 0.000 2.479 756 G HA2 -0.232 3.729 3.960 0.001 0.000 0.686 756 G HA3 -0.232 3.729 3.960 0.001 0.000 0.686 756 G C 0.123 175.048 174.900 0.042 0.000 1.295 756 G CA -0.114 45.011 45.100 0.041 0.000 0.922 756 G HN 0.100 nan 8.290 nan 0.000 0.582 757 E N -0.346 119.869 120.200 0.025 0.000 2.070 757 E HA -0.217 4.134 4.350 0.001 0.000 0.197 757 E C 2.064 178.689 176.600 0.042 0.000 1.004 757 E CA 2.035 58.447 56.400 0.020 0.000 0.805 757 E CB -0.063 29.633 29.700 -0.007 0.000 0.744 757 E HN 0.568 nan 8.360 nan 0.000 0.451 758 E N -0.079 120.144 120.200 0.039 0.000 2.058 758 E HA -0.191 4.160 4.350 0.001 0.000 0.194 758 E C 2.028 178.679 176.600 0.086 0.000 0.997 758 E CA 1.459 57.890 56.400 0.052 0.000 0.801 758 E CB -0.208 29.515 29.700 0.038 0.000 0.746 758 E HN 0.140 nan 8.360 nan 0.000 0.450 759 S N -0.543 115.210 115.700 0.089 0.000 2.383 759 S HA -0.140 4.330 4.470 0.001 0.000 0.227 759 S C 1.908 176.610 174.600 0.171 0.000 1.026 759 S CA 1.056 59.326 58.200 0.116 0.000 0.981 759 S CB -0.321 62.934 63.200 0.092 0.000 0.818 759 S HN 0.321 nan 8.310 nan 0.000 0.472 760 L N 1.871 123.189 121.223 0.159 0.000 2.012 760 L HA -0.108 4.232 4.340 0.001 0.000 0.210 760 L C 2.396 179.440 176.870 0.289 0.000 1.073 760 L CA 2.095 57.068 54.840 0.222 0.000 0.748 760 L CB -1.036 41.116 42.059 0.155 0.000 0.891 760 L HN 0.372 nan 8.230 nan 0.000 0.431 761 Q N -0.509 119.414 119.800 0.205 0.000 2.135 761 Q HA -0.258 4.083 4.340 0.001 0.000 0.204 761 Q C 2.020 178.179 176.000 0.265 0.000 0.981 761 Q CA 1.978 57.911 55.803 0.217 0.000 0.856 761 Q CB -0.211 28.595 28.738 0.113 0.000 0.902 761 Q HN 0.834 nan 8.270 nan 0.000 0.425 762 E N -0.547 119.789 120.200 0.226 0.000 2.112 762 E HA -0.216 4.134 4.350 0.001 0.000 0.190 762 E C 1.720 178.468 176.600 0.247 0.000 0.979 762 E CA 0.782 57.306 56.400 0.205 0.000 0.814 762 E CB -0.473 29.326 29.700 0.164 0.000 0.762 762 E HN 0.471 nan 8.360 nan 0.000 0.460 763 Y N 0.441 120.858 120.300 0.194 0.000 2.200 763 Y HA -0.172 4.379 4.550 0.001 0.000 0.290 763 Y C 1.989 178.051 175.900 0.270 0.000 1.137 763 Y CA 1.503 59.722 58.100 0.199 0.000 1.163 763 Y CB -0.170 38.399 38.460 0.182 0.000 0.988 763 Y HN 0.119 nan 8.280 nan 0.000 0.518 764 F N 1.367 121.403 119.950 0.143 0.000 2.095 764 F HA -0.232 4.295 4.527 0.001 0.000 0.298 764 F C 2.429 178.286 175.800 0.096 0.000 1.104 764 F CA 2.305 60.403 58.000 0.164 0.000 1.232 764 F CB -0.496 38.666 39.000 0.270 0.000 0.987 764 F HN -0.075 nan 8.300 nan 0.000 0.475 765 K N 0.199 120.706 120.400 0.177 0.000 2.103 765 K HA -0.257 4.064 4.320 0.001 0.000 0.207 765 K C 2.262 178.806 176.600 -0.093 0.000 1.048 765 K CA 1.765 58.084 56.287 0.053 0.000 0.930 765 K CB -0.316 32.269 32.500 0.143 0.000 0.716 765 K HN 0.493 nan 8.250 nan 0.000 0.444 766 E N -0.351 119.793 120.200 -0.094 0.000 2.028 766 E HA -0.205 4.145 4.350 0.001 0.000 0.191 766 E C 1.876 178.340 176.600 -0.228 0.000 0.988 766 E CA 1.130 57.456 56.400 -0.124 0.000 0.799 766 E CB -0.188 29.478 29.700 -0.057 0.000 0.755 766 E HN 0.341 nan 8.360 nan 0.000 0.447 767 F N 1.912 121.525 119.950 -0.562 0.000 2.134 767 F HA -0.195 4.332 4.527 0.001 0.000 0.299 767 F C 2.431 177.967 175.800 -0.440 0.000 1.097 767 F CA 1.707 59.365 58.000 -0.571 0.000 1.264 767 F CB -0.018 38.461 39.000 -0.867 0.000 1.001 767 F HN 0.050 nan 8.300 nan 0.000 0.479 768 E N 1.261 121.157 120.200 -0.506 0.000 2.085 768 E HA -0.290 4.061 4.350 0.001 0.000 0.194 768 E C 2.163 178.567 176.600 -0.326 0.000 0.994 768 E CA 1.482 57.589 56.400 -0.489 0.000 0.801 768 E CB -0.412 28.979 29.700 -0.514 0.000 0.743 768 E HN 0.490 nan 8.360 nan 0.000 0.453 769 K N 0.468 120.710 120.400 -0.262 0.000 2.097 769 K HA -0.158 4.163 4.320 0.001 0.000 0.205 769 K C 2.092 178.568 176.600 -0.207 0.000 1.050 769 K CA 1.516 57.693 56.287 -0.183 0.000 0.938 769 K CB -0.086 32.338 32.500 -0.128 0.000 0.718 769 K HN 0.103 nan 8.250 nan 0.000 0.442 770 E N -0.441 119.597 120.200 -0.271 0.000 2.385 770 E HA -0.123 4.228 4.350 0.001 0.000 0.194 770 E C 1.655 178.053 176.600 -0.337 0.000 1.013 770 E CA -0.012 56.225 56.400 -0.271 0.000 0.866 770 E CB -0.098 29.456 29.700 -0.242 0.000 0.832 770 E HN 0.232 nan 8.360 nan 0.000 0.500 771 F N 2.450 122.009 119.950 -0.652 0.000 2.085 771 F HA -0.231 4.297 4.527 0.001 0.000 0.299 771 F C 1.951 177.528 175.800 -0.371 0.000 1.096 771 F CA 1.883 59.505 58.000 -0.630 0.000 1.227 771 F CB -0.052 38.587 39.000 -0.602 0.000 0.983 771 F HN -0.046 nan 8.300 nan 0.000 0.482 772 R N -0.494 119.770 120.500 -0.394 0.000 2.339 772 R HA -0.076 4.265 4.340 0.001 0.000 0.199 772 R C 1.108 177.129 176.300 -0.464 0.000 1.018 772 R CA 0.576 56.259 56.100 -0.695 0.000 1.036 772 R CB -0.211 29.637 30.300 -0.754 0.000 0.899 772 R HN 0.373 nan 8.270 nan 0.000 0.473 773 Q N -0.330 119.279 119.800 -0.319 0.000 2.217 773 Q HA 0.224 4.565 4.340 0.001 0.000 0.217 773 Q C -0.092 175.806 176.000 -0.171 0.000 0.844 773 Q CA 0.113 55.791 55.803 -0.208 0.000 0.957 773 Q CB 0.768 29.407 28.738 -0.165 0.000 1.127 773 Q HN 0.187 nan 8.270 nan 0.000 0.503 774 L N 1.110 122.196 121.223 -0.228 0.000 2.436 774 L HA 0.163 4.504 4.340 0.001 0.000 0.265 774 L C 0.722 177.519 176.870 -0.121 0.000 1.168 774 L CA -0.534 54.197 54.840 -0.182 0.000 0.815 774 L CB 0.334 42.243 42.059 -0.250 0.000 1.109 774 L HN 0.247 nan 8.230 nan 0.000 0.462 775 N N 0.948 119.592 118.700 -0.093 0.000 2.458 775 N HA -0.108 4.633 4.740 0.001 0.000 0.258 775 N C 0.825 176.278 175.510 -0.096 0.000 1.219 775 N CA 0.058 53.065 53.050 -0.073 0.000 0.902 775 N CB 0.839 39.251 38.487 -0.125 0.000 1.076 775 N HN 0.589 nan 8.380 nan 0.000 0.455 776 Y N 3.521 123.766 120.300 -0.092 0.000 2.256 776 Y HA -0.116 4.435 4.550 0.001 0.000 0.288 776 Y C 1.883 177.724 175.900 -0.098 0.000 1.155 776 Y CA 0.949 58.989 58.100 -0.101 0.000 1.203 776 Y CB -0.301 38.096 38.460 -0.104 0.000 0.980 776 Y HN 0.504 nan 8.280 nan 0.000 0.530 777 I N 1.156 121.249 120.570 -0.796 0.000 2.315 777 I HA -0.253 3.918 4.170 0.001 0.000 0.248 777 I C 2.590 178.467 176.117 -0.400 0.000 1.117 777 I CA 1.587 62.459 61.300 -0.713 0.000 1.404 777 I CB -0.506 37.035 38.000 -0.765 0.000 1.071 777 I HN 0.495 nan 8.210 nan 0.000 0.419 778 S N 1.267 116.817 115.700 -0.250 0.000 2.481 778 S HA -0.068 4.403 4.470 0.001 0.000 0.231 778 S C 1.717 176.294 174.600 -0.037 0.000 0.996 778 S CA 0.668 58.800 58.200 -0.113 0.000 0.942 778 S CB -0.576 62.578 63.200 -0.077 0.000 0.768 778 S HN 0.675 nan 8.310 nan 0.000 0.520 779 I N -1.750 118.787 120.570 -0.055 0.000 4.018 779 I HA 0.581 4.752 4.170 0.001 0.000 0.337 779 I C 0.644 176.815 176.117 0.091 0.000 1.327 779 I CA -0.724 60.601 61.300 0.042 0.000 1.100 779 I CB -0.001 37.927 38.000 -0.120 0.000 1.025 779 I HN 0.219 nan 8.210 nan 0.000 0.396 780 A N 1.896 124.734 122.820 0.030 0.000 2.354 780 A HA 0.610 4.930 4.320 0.001 0.000 0.269 780 A C 0.638 178.282 177.584 0.099 0.000 1.109 780 A CA 0.005 52.087 52.037 0.074 0.000 0.800 780 A CB 0.373 19.377 19.000 0.007 0.000 1.045 780 A HN 0.548 nan 8.150 nan 0.000 0.489 781 S N 0.673 116.435 115.700 0.103 0.000 2.669 781 S HA 0.670 5.140 4.470 0.001 0.000 0.270 781 S C -0.238 174.378 174.600 0.026 0.000 1.225 781 S CA -0.592 57.649 58.200 0.068 0.000 0.991 781 S CB 1.161 64.393 63.200 0.053 0.000 0.987 781 S HN 0.818 nan 8.310 nan 0.000 0.552 782 V N 1.210 121.096 119.914 -0.047 0.000 2.604 782 V HA 0.719 4.840 4.120 0.001 0.000 0.305 782 V C -0.188 175.785 176.094 -0.202 0.000 1.043 782 V CA -0.521 61.682 62.300 -0.162 0.000 0.888 782 V CB 1.614 33.318 31.823 -0.198 0.000 0.995 782 V HN 1.022 nan 8.190 nan 0.000 0.429 783 S N 1.589 117.131 115.700 -0.265 0.000 2.595 783 S HA 0.596 5.067 4.470 0.001 0.000 0.281 783 S C -0.554 173.861 174.600 -0.307 0.000 1.117 783 S CA -0.618 57.371 58.200 -0.350 0.000 0.873 783 S CB 2.151 65.014 63.200 -0.563 0.000 1.108 783 S HN 0.689 nan 8.310 nan 0.000 0.477 784 S N 1.835 117.354 115.700 -0.301 0.000 2.499 784 S HA 0.515 4.986 4.470 0.001 0.000 0.279 784 S C 0.121 174.648 174.600 -0.122 0.000 1.219 784 S CA -0.606 57.459 58.200 -0.225 0.000 1.062 784 S CB 1.183 64.251 63.200 -0.220 0.000 0.978 784 S HN 0.823 nan 8.310 nan 0.000 0.489 785 A N 4.426 127.173 122.820 -0.122 0.000 3.037 785 A HA 0.274 4.594 4.320 0.001 0.000 0.272 785 A C 0.122 177.642 177.584 -0.108 0.000 1.723 785 A CA -0.630 51.375 52.037 -0.054 0.000 1.413 785 A CB -0.567 18.380 19.000 -0.089 0.000 1.112 785 A HN 0.693 nan 8.150 nan 0.000 0.606 786 N N 1.089 119.722 118.700 -0.112 0.000 2.473 786 N HA 0.220 4.961 4.740 0.001 0.000 0.291 786 N C -0.300 175.220 175.510 0.016 0.000 1.083 786 N CA -0.289 52.636 53.050 -0.209 0.000 0.951 786 N CB 0.777 38.912 38.487 -0.587 0.000 1.164 786 N HN 0.586 nan 8.380 nan 0.000 0.480 787 N N 0.431 119.180 118.700 0.083 0.000 2.738 787 N HA -0.168 4.572 4.740 0.001 0.000 0.249 787 N C 0.767 176.400 175.510 0.205 0.000 1.047 787 N CA -0.021 53.137 53.050 0.180 0.000 0.707 787 N CB -1.029 37.635 38.487 0.295 0.000 0.937 787 N HN 0.572 nan 8.380 nan 0.000 0.545 788 I N -0.148 120.488 120.570 0.110 0.000 2.133 788 I HA -0.257 3.914 4.170 0.001 0.000 0.238 788 I C 2.594 178.783 176.117 0.120 0.000 1.074 788 I CA 1.602 62.962 61.300 0.099 0.000 1.342 788 I CB -0.403 37.621 38.000 0.041 0.000 1.053 788 I HN 0.501 nan 8.210 nan 0.000 0.404 789 A N 0.984 123.849 122.820 0.075 0.000 1.948 789 A HA -0.303 4.018 4.320 0.001 0.000 0.220 789 A C 2.394 179.994 177.584 0.026 0.000 1.177 789 A CA 2.206 54.273 52.037 0.050 0.000 0.636 789 A CB -0.704 18.317 19.000 0.035 0.000 0.815 789 A HN 0.427 nan 8.150 nan 0.000 0.449 790 K N -1.467 118.931 120.400 -0.004 0.000 2.074 790 K HA -0.219 4.102 4.320 0.001 0.000 0.209 790 K C 1.283 177.718 176.600 -0.275 0.000 1.048 790 K CA 2.119 58.300 56.287 -0.178 0.000 0.926 790 K CB -0.328 31.987 32.500 -0.309 0.000 0.713 790 K HN 0.597 nan 8.250 nan 0.000 0.444 791 Y N 0.349 120.654 120.300 0.009 0.000 2.457 791 Y HA 0.138 4.688 4.550 0.001 0.000 0.263 791 Y C 0.213 176.122 175.900 0.014 0.000 1.164 791 Y CA -0.407 57.697 58.100 0.008 0.000 1.274 791 Y CB 0.301 38.754 38.460 -0.011 0.000 1.097 791 Y HN 0.011 nan 8.280 nan 0.000 0.523 792 D N 1.452 121.927 120.400 0.126 0.000 2.383 792 D HA 0.121 4.761 4.640 0.001 0.000 0.245 792 D C -0.795 175.551 176.300 0.078 0.000 1.263 792 D CA 0.323 54.376 54.000 0.087 0.000 0.936 792 D CB 0.674 41.509 40.800 0.058 0.000 1.053 792 D HN -0.104 nan 8.370 nan 0.000 0.507 793 V N 3.532 123.512 119.914 0.109 0.000 2.257 793 V HA 0.385 4.506 4.120 0.001 0.000 0.269 793 V C 1.301 177.492 176.094 0.161 0.000 1.040 793 V CA -0.209 62.156 62.300 0.109 0.000 0.813 793 V CB 0.848 32.734 31.823 0.104 0.000 1.065 793 V HN 0.784 nan 8.190 nan 0.000 0.457 794 G N 3.254 112.131 108.800 0.129 0.000 2.168 794 G HA2 -0.026 3.935 3.960 0.001 0.000 0.257 794 G HA3 -0.026 3.935 3.960 0.001 0.000 0.257 794 G C 1.105 176.145 174.900 0.233 0.000 0.997 794 G CA 0.609 45.809 45.100 0.167 0.000 0.708 794 G HN 2.081 nan 8.290 nan 0.000 0.520 795 G N -2.667 106.202 108.800 0.115 0.000 2.195 795 G HA2 -0.066 3.895 3.960 0.001 0.000 0.224 795 G HA3 -0.066 3.895 3.960 0.001 0.000 0.224 795 G C 0.217 174.918 174.900 -0.331 0.000 0.990 795 G CA 0.423 45.464 45.100 -0.098 0.000 0.639 795 G HN 1.215 nan 8.290 nan 0.000 0.514 796 F N 1.966 121.927 119.950 0.020 0.000 2.575 796 F HA 0.659 5.187 4.527 0.001 0.000 0.330 796 F C -1.887 173.932 175.800 0.031 0.000 1.056 796 F CA -2.517 55.494 58.000 0.019 0.000 0.964 796 F CB 1.714 40.722 39.000 0.013 0.000 1.258 796 F HN -0.185 nan 8.300 nan 0.000 0.484 797 P HA 0.167 nan 4.420 nan 0.000 0.271 797 P C -0.191 177.208 177.300 0.165 0.000 1.220 797 P CA 0.038 63.225 63.100 0.145 0.000 0.768 797 P CB 0.826 32.573 31.700 0.079 0.000 0.848 798 G N 4.399 113.313 108.800 0.190 0.000 2.535 798 G HA2 0.420 4.381 3.960 0.001 0.000 0.282 798 G HA3 0.420 4.381 3.960 0.001 0.000 0.282 798 G C -2.314 172.691 174.900 0.174 0.000 1.350 798 G CA -1.321 43.874 45.100 0.157 0.000 1.039 798 G HN 0.407 nan 8.290 nan 0.000 0.509 799 P HA 0.190 nan 4.420 nan 0.000 0.274 799 P C -0.593 176.827 177.300 0.199 0.000 1.231 799 P CA -0.009 63.169 63.100 0.130 0.000 0.790 799 P CB 0.948 32.699 31.700 0.085 0.000 0.951 800 K N -1.993 118.501 120.400 0.156 0.000 3.160 800 K HA -0.160 4.161 4.320 0.001 0.000 0.280 800 K C 0.218 176.907 176.600 0.147 0.000 1.154 800 K CA 0.241 56.629 56.287 0.169 0.000 0.822 800 K CB -2.309 30.314 32.500 0.205 0.000 1.239 800 K HN 0.560 nan 8.250 nan 0.000 0.489 801 C N 1.781 121.106 119.300 0.042 0.000 2.576 801 C HA 0.283 4.743 4.460 0.001 0.000 0.401 801 C C -1.678 173.102 174.990 -0.351 0.000 1.314 801 C CA -1.688 57.129 59.018 -0.336 0.000 1.855 801 C CB -0.349 27.322 27.740 -0.115 0.000 2.537 801 C HN 0.203 nan 8.230 nan 0.000 0.578 802 P HA 0.065 nan 4.420 nan 0.000 0.269 802 P C 0.499 177.666 177.300 -0.221 0.000 1.209 802 P CA 0.020 62.922 63.100 -0.330 0.000 0.776 802 P CB 0.234 31.616 31.700 -0.530 0.000 0.876 803 F N 2.891 122.772 119.950 -0.115 0.000 2.091 803 F HA -0.289 4.239 4.527 0.001 0.000 0.299 803 F C 2.419 178.196 175.800 -0.038 0.000 1.103 803 F CA 2.001 59.980 58.000 -0.036 0.000 1.228 803 F CB -0.372 38.653 39.000 0.042 0.000 0.984 803 F HN 0.495 nan 8.300 nan 0.000 0.477 804 H N -0.800 118.294 119.070 0.038 0.000 2.428 804 H HA -0.073 4.484 4.556 0.001 0.000 0.296 804 H C 2.220 177.466 175.328 -0.138 0.000 1.062 804 H CA 1.509 57.519 56.048 -0.064 0.000 1.350 804 H CB -0.957 28.796 29.762 -0.017 0.000 1.403 804 H HN 0.259 nan 8.280 nan 0.000 0.533 805 I N 1.556 121.747 120.570 -0.632 0.000 2.315 805 I HA -0.155 4.016 4.170 0.001 0.000 0.248 805 I C 2.828 178.791 176.117 -0.257 0.000 1.117 805 I CA 0.772 61.822 61.300 -0.417 0.000 1.404 805 I CB -0.858 36.836 38.000 -0.510 0.000 1.071 805 I HN 0.235 nan 8.210 nan 0.000 0.419 806 R N 1.220 121.546 120.500 -0.289 0.000 2.096 806 R HA -0.143 4.198 4.340 0.001 0.000 0.235 806 R C 2.343 178.516 176.300 -0.213 0.000 1.127 806 R CA 1.715 57.680 56.100 -0.224 0.000 0.968 806 R CB -0.441 29.702 30.300 -0.262 0.000 0.861 806 R HN 0.359 nan 8.270 nan 0.000 0.440 807 G N 1.052 109.692 108.800 -0.268 0.000 2.418 807 G HA2 -0.215 3.746 3.960 0.001 0.000 0.217 807 G HA3 -0.215 3.746 3.960 0.001 0.000 0.217 807 G C 1.484 176.355 174.900 -0.049 0.000 1.158 807 G CA 0.800 45.793 45.100 -0.179 0.000 0.771 807 G HN 0.283 nan 8.290 nan 0.000 0.545 808 I N 0.447 120.988 120.570 -0.048 0.000 2.286 808 I HA -0.130 4.040 4.170 0.001 0.000 0.248 808 I C 2.651 178.805 176.117 0.062 0.000 1.115 808 I CA 0.656 61.975 61.300 0.032 0.000 1.392 808 I CB -0.145 37.851 38.000 -0.007 0.000 1.065 808 I HN 0.139 nan 8.210 nan 0.000 0.418 809 L N 0.073 121.283 121.223 -0.022 0.000 2.093 809 L HA -0.184 4.157 4.340 0.001 0.000 0.208 809 L C 2.817 179.635 176.870 -0.087 0.000 1.085 809 L CA 1.904 56.709 54.840 -0.059 0.000 0.755 809 L CB -1.015 40.990 42.059 -0.090 0.000 0.904 809 L HN 0.401 nan 8.230 nan 0.000 0.435 810 T N -2.291 112.227 114.554 -0.060 0.000 2.951 810 T HA -0.256 4.095 4.350 0.001 0.000 0.268 810 T C 1.852 176.578 174.700 0.042 0.000 1.073 810 T CA 0.910 62.984 62.100 -0.043 0.000 1.134 810 T CB -0.376 68.482 68.868 -0.016 0.000 0.884 810 T HN 0.360 nan 8.240 nan 0.000 0.479 811 Y N 2.799 123.071 120.300 -0.047 0.000 2.163 811 Y HA -0.023 4.528 4.550 0.001 0.000 0.288 811 Y C 2.234 178.136 175.900 0.003 0.000 1.136 811 Y CA 1.729 59.825 58.100 -0.007 0.000 1.147 811 Y CB -0.709 37.772 38.460 0.034 0.000 0.987 811 Y HN 0.194 nan 8.280 nan 0.000 0.509 812 N N 0.555 119.226 118.700 -0.050 0.000 2.104 812 N HA -0.177 4.564 4.740 0.001 0.000 0.190 812 N C 1.891 177.296 175.510 -0.175 0.000 1.024 812 N CA 1.677 54.637 53.050 -0.151 0.000 0.853 812 N CB -0.412 38.048 38.487 -0.045 0.000 1.008 812 N HN 0.456 nan 8.380 nan 0.000 0.424 813 R N 0.607 121.014 120.500 -0.155 0.000 2.096 813 R HA 0.041 4.381 4.340 0.001 0.000 0.235 813 R C 2.127 178.361 176.300 -0.111 0.000 1.127 813 R CA 1.166 57.172 56.100 -0.156 0.000 0.968 813 R CB -0.297 29.868 30.300 -0.224 0.000 0.861 813 R HN 0.200 nan 8.270 nan 0.000 0.440 814 A N 1.814 124.585 122.820 -0.082 0.000 1.930 814 A HA -0.035 4.286 4.320 0.001 0.000 0.217 814 A C 1.499 179.013 177.584 -0.118 0.000 1.175 814 A CA 0.828 52.851 52.037 -0.023 0.000 0.627 814 A CB -0.441 18.655 19.000 0.162 0.000 0.815 814 A HN 0.387 nan 8.150 nan 0.000 0.443 823 Q N 0.101 120.031 119.800 0.217 0.000 2.266 823 Q HA 0.578 4.919 4.340 0.001 0.000 0.261 823 Q C -0.811 175.310 176.000 0.202 0.000 0.985 823 Q CA -0.722 55.215 55.803 0.224 0.000 0.873 823 Q CB 1.890 30.713 28.738 0.142 0.000 1.306 823 Q HN 0.322 nan 8.270 nan 0.000 0.447 824 V N 3.630 123.661 119.914 0.194 0.000 2.432 824 V HA 0.261 4.382 4.120 0.001 0.000 0.271 824 V C -0.406 175.710 176.094 0.036 0.000 1.046 824 V CA -0.474 61.873 62.300 0.079 0.000 0.945 824 V CB 1.101 32.964 31.823 0.065 0.000 0.992 824 V HN 0.566 nan 8.190 nan 0.000 0.471 825 V N 4.556 124.448 119.914 -0.037 0.000 2.439 825 V HA 0.292 4.412 4.120 0.001 0.000 0.282 825 V C 0.545 176.564 176.094 -0.125 0.000 1.039 825 V CA -0.816 61.451 62.300 -0.055 0.000 0.913 825 V CB 1.580 33.372 31.823 -0.052 0.000 0.983 825 V HN 0.809 nan 8.190 nan 0.000 0.460 826 E N 2.502 122.665 120.200 -0.062 0.000 2.653 826 E HA 0.031 4.382 4.350 0.001 0.000 0.264 826 E C 1.358 177.876 176.600 -0.137 0.000 0.949 826 E CA 1.442 57.799 56.400 -0.072 0.000 0.953 826 E CB 0.612 30.302 29.700 -0.017 0.000 0.925 826 E HN 1.063 nan 8.360 nan 0.000 0.475 827 G N 3.879 112.572 108.800 -0.179 0.000 2.328 827 G HA2 -0.273 3.687 3.960 0.001 0.000 0.256 827 G HA3 -0.273 3.687 3.960 0.001 0.000 0.256 827 G C 0.394 175.126 174.900 -0.279 0.000 1.014 827 G CA 0.594 45.551 45.100 -0.239 0.000 0.620 827 G HN 0.506 nan 8.290 nan 0.000 0.530 828 E N 0.921 120.911 120.200 -0.351 0.000 2.376 828 E HA 0.470 4.820 4.350 0.001 0.000 0.254 828 E C 0.675 177.058 176.600 -0.362 0.000 1.213 828 E CA -0.160 55.950 56.400 -0.482 0.000 0.945 828 E CB 0.398 29.596 29.700 -0.838 0.000 1.057 828 E HN 0.503 nan 8.360 nan 0.000 0.479 829 K N 0.233 120.412 120.400 -0.369 0.000 2.118 829 K HA 0.440 4.761 4.320 0.001 0.000 0.267 829 K C -0.282 176.082 176.600 -0.393 0.000 0.991 829 K CA -0.633 55.451 56.287 -0.339 0.000 0.916 829 K CB 1.320 33.626 32.500 -0.324 0.000 1.041 829 K HN 0.323 nan 8.250 nan 0.000 0.455 830 V N -0.828 118.840 119.914 -0.411 0.000 2.971 830 V HA 0.432 4.553 4.120 0.001 0.000 0.309 830 V C -1.275 174.469 176.094 -0.584 0.000 1.130 830 V CA -1.162 60.837 62.300 -0.502 0.000 0.964 830 V CB 0.930 32.559 31.823 -0.324 0.000 1.029 830 V HN 0.545 nan 8.190 nan 0.000 0.427 831 Y N 1.851 121.680 120.300 -0.786 0.000 2.301 831 Y HA 0.717 5.267 4.550 0.001 0.000 0.328 831 Y C 0.479 175.977 175.900 -0.671 0.000 1.242 831 Y CA -0.424 57.144 58.100 -0.888 0.000 1.323 831 Y CB 1.619 39.058 38.460 -1.702 0.000 1.266 831 Y HN 0.610 nan 8.280 nan 0.000 0.527 832 V N 4.529 124.371 119.914 -0.119 0.000 2.709 832 V HA 0.520 4.641 4.120 0.001 0.000 0.308 832 V C -0.671 175.547 176.094 0.205 0.000 1.062 832 V CA -1.073 61.268 62.300 0.069 0.000 0.901 832 V CB 2.074 33.982 31.823 0.141 0.000 1.003 832 V HN 0.529 nan 8.190 nan 0.000 0.425 833 L N 5.920 127.305 121.223 0.271 0.000 2.436 833 L HA 0.574 4.914 4.340 0.001 0.000 0.268 833 L C -2.640 174.353 176.870 0.206 0.000 0.974 833 L CA -1.608 53.377 54.840 0.242 0.000 0.826 833 L CB 3.513 45.717 42.059 0.242 0.000 1.291 833 L HN 0.425 nan 8.230 nan 0.000 0.406 834 P HA 0.298 nan 4.420 nan 0.000 0.277 834 P C -1.338 176.052 177.300 0.150 0.000 1.240 834 P CA -0.506 62.756 63.100 0.270 0.000 0.798 834 P CB 1.879 33.754 31.700 0.291 0.000 0.979 835 L N 2.384 123.699 121.223 0.153 0.000 2.362 835 L HA 0.461 4.801 4.340 0.001 0.000 0.271 835 L C 0.949 177.941 176.870 0.203 0.000 1.002 835 L CA -0.920 54.019 54.840 0.164 0.000 0.818 835 L CB 1.247 43.383 42.059 0.128 0.000 1.298 835 L HN 0.357 nan 8.230 nan 0.000 0.420 836 R N 0.950 121.617 120.500 0.278 0.000 2.738 836 R HA 0.184 4.525 4.340 0.001 0.000 0.268 836 R C -0.171 176.295 176.300 0.278 0.000 1.062 836 R CA -0.299 55.972 56.100 0.284 0.000 1.158 836 R CB 0.414 30.910 30.300 0.327 0.000 1.046 836 R HN 0.529 nan 8.270 nan 0.000 0.493 837 E N 0.028 120.357 120.200 0.215 0.000 2.384 837 E HA 0.059 4.410 4.350 0.001 0.000 0.266 837 E C 0.606 177.319 176.600 0.188 0.000 1.012 837 E CA 0.973 57.467 56.400 0.157 0.000 0.901 837 E CB 0.678 30.453 29.700 0.126 0.000 0.967 837 E HN 0.832 nan 8.360 nan 0.000 0.435 838 G N 3.045 111.876 108.800 0.051 0.000 2.175 838 G HA2 -0.291 3.670 3.960 0.001 0.000 0.244 838 G HA3 -0.291 3.670 3.960 0.001 0.000 0.244 838 G C 0.027 174.629 174.900 -0.496 0.000 0.982 838 G CA 0.238 45.325 45.100 -0.022 0.000 0.641 838 G HN 0.705 nan 8.290 nan 0.000 0.527 839 N N 0.734 119.014 118.700 -0.701 0.000 2.482 839 N HA 0.509 5.249 4.740 0.001 0.000 0.260 839 N C -0.712 174.268 175.510 -0.883 0.000 1.236 839 N CA -0.929 51.225 53.050 -1.494 0.000 0.938 839 N CB 0.986 39.117 38.487 -0.594 0.000 1.128 839 N HN 0.106 nan 8.380 nan 0.000 0.448 840 P HA -0.011 nan 4.420 nan 0.000 0.245 840 P C -0.044 176.878 177.300 -0.631 0.000 1.212 840 P CA 0.673 63.365 63.100 -0.680 0.000 0.774 840 P CB -0.069 31.220 31.700 -0.684 0.000 0.999 841 F N 0.198 119.986 119.950 -0.271 0.000 2.789 841 F HA 0.302 4.830 4.527 0.001 0.000 0.300 841 F C 1.904 177.640 175.800 -0.106 0.000 1.132 841 F CA 0.872 58.779 58.000 -0.155 0.000 1.404 841 F CB -0.658 38.269 39.000 -0.121 0.000 1.114 841 F HN 0.044 nan 8.300 nan 0.000 0.584 842 G N 0.379 109.185 108.800 0.011 0.000 2.143 842 G HA2 -0.238 3.723 3.960 0.001 0.000 0.248 842 G HA3 -0.238 3.723 3.960 0.001 0.000 0.248 842 G C -0.354 174.595 174.900 0.082 0.000 0.991 842 G CA 0.357 45.488 45.100 0.051 0.000 0.689 842 G HN 0.372 nan 8.290 nan 0.000 0.522 843 D N -1.663 118.775 120.400 0.063 0.000 2.738 843 D HA 0.263 4.904 4.640 0.001 0.000 0.308 843 D C 1.094 177.418 176.300 0.039 0.000 1.311 843 D CA -0.092 53.938 54.000 0.049 0.000 0.799 843 D CB 0.227 41.042 40.800 0.025 0.000 1.332 843 D HN 0.133 nan 8.370 nan 0.000 0.441 844 K N -0.651 119.767 120.400 0.031 0.000 2.505 844 K HA 0.283 4.604 4.320 0.001 0.000 0.192 844 K C 0.389 177.011 176.600 0.037 0.000 1.025 844 K CA 0.024 56.354 56.287 0.073 0.000 1.086 844 K CB -0.623 31.963 32.500 0.143 0.000 0.840 844 K HN 0.449 nan 8.250 nan 0.000 0.514 845 C N -1.754 117.489 119.300 -0.095 0.000 3.275 845 C HA 0.731 5.191 4.460 0.001 0.000 0.340 845 C C -1.420 173.480 174.990 -0.150 0.000 1.366 845 C CA -1.411 57.514 59.018 -0.154 0.000 1.227 845 C CB 0.665 28.072 27.740 -0.556 0.000 1.512 845 C HN 0.405 nan 8.230 nan 0.000 0.461 846 I N 0.950 121.469 120.570 -0.086 0.000 2.827 846 I HA 0.746 4.916 4.170 0.001 0.000 0.298 846 I C -0.497 175.680 176.117 0.101 0.000 1.235 846 I CA -0.256 61.023 61.300 -0.035 0.000 1.021 846 I CB 2.081 39.994 38.000 -0.146 0.000 1.259 846 I HN 1.415 nan 8.210 nan 0.000 0.427 847 A N 5.238 128.122 122.820 0.105 0.000 2.469 847 A HA 0.931 5.252 4.320 0.001 0.000 0.299 847 A C -1.986 175.579 177.584 -0.032 0.000 1.098 847 A CA -0.465 51.620 52.037 0.081 0.000 0.737 847 A CB 1.340 20.311 19.000 -0.048 0.000 1.312 847 A HN 0.912 nan 8.150 nan 0.000 0.414 848 W N -0.652 120.422 121.300 -0.377 0.000 3.074 848 W HA 0.674 5.335 4.660 0.001 0.000 0.332 848 W C -3.430 172.922 176.519 -0.277 0.000 1.253 848 W CA -2.484 54.470 57.345 -0.651 0.000 1.180 848 W CB 0.229 29.306 29.460 -0.638 0.000 1.445 848 W HN 0.449 nan 8.180 nan 0.000 0.573 849 P HA -0.003 nan 4.420 nan 0.000 0.260 849 P C 0.335 177.429 177.300 -0.343 0.000 1.172 849 P CA 0.706 63.697 63.100 -0.183 0.000 0.760 849 P CB 0.601 32.335 31.700 0.057 0.000 0.773 850 S N 2.692 118.048 115.700 -0.574 0.000 2.589 850 S HA 0.376 4.847 4.470 0.001 0.000 0.265 850 S C 1.420 175.820 174.600 -0.333 0.000 1.342 850 S CA 0.182 57.794 58.200 -0.981 0.000 1.005 850 S CB -0.099 62.519 63.200 -0.969 0.000 0.909 850 S HN 0.932 nan 8.310 nan 0.000 0.555 851 G N 0.119 108.828 108.800 -0.151 0.000 2.168 851 G HA2 -0.198 3.763 3.960 0.001 0.000 0.263 851 G HA3 -0.198 3.763 3.960 0.001 0.000 0.263 851 G C 0.243 175.263 174.900 0.200 0.000 0.977 851 G CA 0.754 45.908 45.100 0.091 0.000 0.659 851 G HN 1.909 nan 8.290 nan 0.000 0.533 852 T N -2.989 111.769 114.554 0.341 0.000 2.896 852 T HA 0.691 5.042 4.350 0.001 0.000 0.297 852 T C -0.549 174.464 174.700 0.521 0.000 1.108 852 T CA -0.727 61.586 62.100 0.354 0.000 1.004 852 T CB 2.840 71.896 68.868 0.313 0.000 1.159 852 T HN 0.108 nan 8.240 nan 0.000 0.499 853 E N 0.894 121.299 120.200 0.342 0.000 2.349 853 E HA 0.344 4.694 4.350 0.001 0.000 0.262 853 E C -0.057 176.661 176.600 0.197 0.000 1.088 853 E CA -0.495 56.086 56.400 0.301 0.000 0.899 853 E CB 1.217 31.030 29.700 0.189 0.000 1.044 853 E HN 0.583 nan 8.360 nan 0.000 0.420 854 I N 1.599 122.118 120.570 -0.084 0.000 2.471 854 I HA -0.051 4.120 4.170 0.001 0.000 0.286 854 I C 1.250 177.307 176.117 -0.101 0.000 1.079 854 I CA 0.148 61.215 61.300 -0.388 0.000 1.398 854 I CB 0.768 38.295 38.000 -0.787 0.000 1.403 854 I HN 0.341 nan 8.210 nan 0.000 0.530 855 T N 4.743 119.309 114.554 0.020 0.000 2.923 855 T HA -0.125 4.226 4.350 0.001 0.000 0.309 855 T C 1.231 175.932 174.700 0.003 0.000 1.059 855 T CA 0.027 62.157 62.100 0.050 0.000 1.133 855 T CB 0.215 69.138 68.868 0.093 0.000 1.053 855 T HN 0.604 nan 8.240 nan 0.000 0.530 856 D N 2.901 123.307 120.400 0.010 0.000 2.149 856 D HA -0.136 4.505 4.640 0.001 0.000 0.198 856 D C 2.129 178.428 176.300 -0.001 0.000 0.990 856 D CA 1.711 55.709 54.000 -0.003 0.000 0.839 856 D CB -0.122 40.682 40.800 0.007 0.000 0.948 856 D HN 0.770 nan 8.370 nan 0.000 0.460 857 L N -0.332 120.897 121.223 0.010 0.000 2.261 857 L HA -0.062 4.278 4.340 0.001 0.000 0.216 857 L C 2.204 179.094 176.870 0.033 0.000 1.114 857 L CA 1.233 56.081 54.840 0.013 0.000 0.777 857 L CB -0.715 41.349 42.059 0.008 0.000 0.910 857 L HN 0.089 nan 8.230 nan 0.000 0.440 858 I N -4.560 116.037 120.570 0.046 0.000 4.526 858 I HA 0.162 4.333 4.170 0.001 0.000 0.330 858 I C 2.163 178.304 176.117 0.040 0.000 1.323 858 I CA -0.230 61.142 61.300 0.120 0.000 1.218 858 I CB 0.010 38.140 38.000 0.217 0.000 1.233 858 I HN 0.001 nan 8.210 nan 0.000 0.430 859 K N 2.070 122.426 120.400 -0.073 0.000 2.015 859 K HA -0.262 4.058 4.320 0.001 0.000 0.216 859 K C 1.409 177.904 176.600 -0.176 0.000 1.052 859 K CA 2.878 59.038 56.287 -0.212 0.000 0.937 859 K CB -0.153 32.220 32.500 -0.211 0.000 0.719 859 K HN 0.308 nan 8.250 nan 0.000 0.446 860 D N 0.685 121.039 120.400 -0.076 0.000 2.178 860 D HA -0.125 4.515 4.640 0.001 0.000 0.201 860 D C 1.554 177.896 176.300 0.070 0.000 0.980 860 D CA 1.015 54.995 54.000 -0.033 0.000 0.842 860 D CB -0.236 40.552 40.800 -0.020 0.000 0.948 860 D HN 0.302 nan 8.370 nan 0.000 0.472 861 D N -0.134 120.362 120.400 0.160 0.000 2.117 861 D HA -0.088 4.553 4.640 0.001 0.000 0.198 861 D C 2.275 178.901 176.300 0.543 0.000 0.982 861 D CA 0.486 54.716 54.000 0.383 0.000 0.828 861 D CB -0.093 40.954 40.800 0.410 0.000 0.967 861 D HN 0.079 nan 8.370 nan 0.000 0.464 862 V N 1.631 121.701 119.914 0.260 0.000 2.255 862 V HA -0.228 3.892 4.120 0.001 0.000 0.247 862 V C 2.701 178.784 176.094 -0.018 0.000 1.051 862 V CA 1.227 63.510 62.300 -0.028 0.000 1.018 862 V CB -0.543 31.053 31.823 -0.379 0.000 0.641 862 V HN 0.200 nan 8.190 nan 0.000 0.445 863 L N -0.403 120.746 121.223 -0.125 0.000 2.191 863 L HA -0.201 4.140 4.340 0.001 0.000 0.212 863 L C 2.582 179.446 176.870 -0.010 0.000 1.103 863 L CA 1.749 56.503 54.840 -0.143 0.000 0.769 863 L CB -0.876 41.058 42.059 -0.208 0.000 0.908 863 L HN 0.522 nan 8.230 nan 0.000 0.438 864 H N -0.863 118.182 119.070 -0.041 0.000 2.470 864 H HA -0.148 4.408 4.556 0.001 0.000 0.289 864 H C 1.342 176.500 175.328 -0.283 0.000 1.033 864 H CA 1.233 57.187 56.048 -0.156 0.000 1.331 864 H CB 0.137 29.773 29.762 -0.210 0.000 1.414 864 H HN 0.367 nan 8.280 nan 0.000 0.545 865 W N 0.695 122.051 121.300 0.094 0.000 3.220 865 W HA 0.264 4.925 4.660 0.001 0.000 0.328 865 W C 0.588 177.100 176.519 -0.012 0.000 1.205 865 W CA -0.561 56.825 57.345 0.069 0.000 1.773 865 W CB 0.190 29.778 29.460 0.214 0.000 1.086 865 W HN -0.082 nan 8.180 nan 0.000 0.622 866 M N 1.745 121.372 119.600 0.046 0.000 2.261 866 M HA -0.091 4.390 4.480 0.001 0.000 0.350 866 M C 0.295 176.540 176.300 -0.092 0.000 1.343 866 M CA 0.965 56.192 55.300 -0.121 0.000 1.003 866 M CB 0.253 32.584 32.600 -0.448 0.000 1.848 866 M HN -0.177 nan 8.290 nan 0.000 0.456 867 D N 3.435 123.826 120.400 -0.016 0.000 2.500 867 D HA 0.069 4.710 4.640 0.001 0.000 0.219 867 D C 0.319 176.670 176.300 0.086 0.000 1.137 867 D CA -0.016 54.030 54.000 0.077 0.000 0.946 867 D CB 0.219 41.095 40.800 0.127 0.000 1.022 867 D HN 0.459 nan 8.370 nan 0.000 0.518 868 Y N 1.208 121.580 120.300 0.120 0.000 2.165 868 Y HA -0.237 4.313 4.550 0.001 0.000 0.286 868 Y C 2.538 178.569 175.900 0.219 0.000 1.155 868 Y CA 1.388 59.612 58.100 0.206 0.000 1.164 868 Y CB -0.323 38.231 38.460 0.157 0.000 0.978 868 Y HN 0.302 nan 8.280 nan 0.000 0.513 869 T N -0.750 113.974 114.554 0.283 0.000 2.684 869 T HA -0.182 4.168 4.350 0.001 0.000 0.267 869 T C 2.115 176.890 174.700 0.124 0.000 1.036 869 T CA 1.693 63.892 62.100 0.165 0.000 1.148 869 T CB -0.794 68.147 68.868 0.122 0.000 0.863 869 T HN 0.113 nan 8.240 nan 0.000 0.436 870 V N 1.389 121.377 119.914 0.124 0.000 2.358 870 V HA -0.083 4.038 4.120 0.001 0.000 0.246 870 V C 2.456 178.604 176.094 0.090 0.000 1.047 870 V CA 1.196 63.549 62.300 0.089 0.000 1.035 870 V CB -0.665 31.215 31.823 0.094 0.000 0.658 870 V HN 0.408 nan 8.190 nan 0.000 0.452 871 L N -0.746 120.568 121.223 0.152 0.000 1.989 871 L HA -0.229 4.112 4.340 0.001 0.000 0.211 871 L C 2.494 179.462 176.870 0.163 0.000 1.071 871 L CA 1.975 56.934 54.840 0.200 0.000 0.749 871 L CB -0.344 41.906 42.059 0.319 0.000 0.890 871 L HN 0.355 nan 8.230 nan 0.000 0.431 872 L N 0.299 121.566 121.223 0.074 0.000 2.012 872 L HA -0.263 4.078 4.340 0.001 0.000 0.210 872 L C 2.438 179.285 176.870 -0.038 0.000 1.073 872 L CA 2.179 56.870 54.840 -0.249 0.000 0.748 872 L CB -0.594 41.177 42.059 -0.480 0.000 0.891 872 L HN 0.303 nan 8.230 nan 0.000 0.431 873 E N -0.042 120.159 120.200 0.001 0.000 2.038 873 E HA -0.302 4.048 4.350 0.001 0.000 0.195 873 E C 2.220 178.803 176.600 -0.027 0.000 1.000 873 E CA 1.969 58.369 56.400 0.000 0.000 0.803 873 E CB -0.278 29.430 29.700 0.013 0.000 0.750 873 E HN 0.387 nan 8.360 nan 0.000 0.448 874 K N -0.380 120.009 120.400 -0.019 0.000 2.025 874 K HA -0.065 4.255 4.320 0.001 0.000 0.207 874 K C 2.175 178.758 176.600 -0.029 0.000 1.049 874 K CA 2.226 58.484 56.287 -0.048 0.000 0.933 874 K CB -0.806 31.649 32.500 -0.075 0.000 0.714 874 K HN 0.360 nan 8.250 nan 0.000 0.438 875 T N -2.656 111.919 114.554 0.034 0.000 3.035 875 T HA 0.048 4.398 4.350 0.001 0.000 0.259 875 T C 1.647 176.419 174.700 0.119 0.000 1.078 875 T CA 0.503 62.649 62.100 0.076 0.000 1.132 875 T CB -0.222 68.737 68.868 0.151 0.000 0.900 875 T HN 0.184 nan 8.240 nan 0.000 0.480 876 F N 0.833 120.730 119.950 -0.088 0.000 2.532 876 F HA 0.484 5.011 4.527 0.001 0.000 0.276 876 F C 1.724 177.417 175.800 -0.179 0.000 0.911 876 F CA -0.695 57.231 58.000 -0.123 0.000 1.196 876 F CB -0.070 38.869 39.000 -0.102 0.000 1.087 876 F HN -0.047 nan 8.300 nan 0.000 0.775 877 I N 0.935 121.356 120.570 -0.248 0.000 2.179 877 I HA -0.298 3.873 4.170 0.001 0.000 0.242 877 I C 2.462 178.306 176.117 -0.455 0.000 1.088 877 I CA 1.659 62.694 61.300 -0.442 0.000 1.357 877 I CB -0.599 37.303 38.000 -0.163 0.000 1.051 877 I HN 0.155 nan 8.210 nan 0.000 0.409 878 K N 1.201 121.433 120.400 -0.279 0.000 2.020 878 K HA -0.182 4.139 4.320 0.001 0.000 0.212 878 K C -0.428 175.959 176.600 -0.355 0.000 1.050 878 K CA 2.027 58.164 56.287 -0.249 0.000 0.929 878 K CB -0.933 31.470 32.500 -0.162 0.000 0.714 878 K HN 0.217 nan 8.250 nan 0.000 0.443 879 P HA -0.187 nan 4.420 nan 0.000 0.217 879 P C 1.730 178.365 177.300 -1.109 0.000 1.151 879 P CA 1.137 63.869 63.100 -0.613 0.000 0.828 879 P CB -0.086 31.343 31.700 -0.452 0.000 0.788 880 L N 0.246 120.877 121.223 -0.986 0.000 2.017 880 L HA -0.150 4.191 4.340 0.001 0.000 0.208 880 L C 2.675 179.143 176.870 -0.670 0.000 1.073 880 L CA 1.953 56.222 54.840 -0.951 0.000 0.745 880 L CB -0.794 40.674 42.059 -0.984 0.000 0.894 880 L HN -0.005 nan 8.230 nan 0.000 0.432 881 E N 0.194 120.050 120.200 -0.573 0.000 2.160 881 E HA -0.205 4.146 4.350 0.001 0.000 0.195 881 E C 1.894 178.371 176.600 -0.205 0.000 0.991 881 E CA 1.407 57.651 56.400 -0.261 0.000 0.810 881 E CB -0.152 29.443 29.700 -0.175 0.000 0.742 881 E HN 0.599 nan 8.360 nan 0.000 0.466 882 G N 0.022 108.633 108.800 -0.315 0.000 2.418 882 G HA2 -0.229 3.731 3.960 0.001 0.000 0.217 882 G HA3 -0.229 3.731 3.960 0.001 0.000 0.217 882 G C 1.352 176.246 174.900 -0.010 0.000 1.158 882 G CA 0.754 45.752 45.100 -0.169 0.000 0.771 882 G HN 0.203 nan 8.290 nan 0.000 0.545 883 F N 1.981 121.854 119.950 -0.128 0.000 2.113 883 F HA -0.041 4.487 4.527 0.001 0.000 0.297 883 F C 3.171 178.713 175.800 -0.431 0.000 1.103 883 F CA 1.354 59.194 58.000 -0.267 0.000 1.248 883 F CB -1.495 37.335 39.000 -0.283 0.000 0.999 883 F HN 0.249 nan 8.300 nan 0.000 0.475 884 T N -1.854 112.640 114.554 -0.101 0.000 2.867 884 T HA -0.146 4.205 4.350 0.001 0.000 0.268 884 T C 2.128 176.772 174.700 -0.094 0.000 1.057 884 T CA 1.347 63.375 62.100 -0.119 0.000 1.136 884 T CB -0.965 67.895 68.868 -0.015 0.000 0.874 884 T HN 0.319 nan 8.240 nan 0.000 0.466 885 S N 2.410 118.076 115.700 -0.057 0.000 2.383 885 S HA 0.146 4.616 4.470 0.001 0.000 0.227 885 S C 2.486 177.074 174.600 -0.021 0.000 1.026 885 S CA 0.716 58.894 58.200 -0.036 0.000 0.981 885 S CB -0.959 62.228 63.200 -0.022 0.000 0.818 885 S HN 0.731 nan 8.310 nan 0.000 0.472 886 A N 2.101 124.921 122.820 0.000 0.000 1.898 886 A HA 0.395 4.716 4.320 0.001 0.000 0.216 886 A C 2.387 179.986 177.584 0.026 0.000 1.181 886 A CA 1.540 53.614 52.037 0.062 0.000 0.620 886 A CB -1.298 17.807 19.000 0.176 0.000 0.819 886 A HN 0.914 nan 8.150 nan 0.000 0.442 887 A N -1.250 121.509 122.820 -0.102 0.000 2.238 887 A HA 0.234 4.555 4.320 0.001 0.000 0.208 887 A C 0.714 178.247 177.584 -0.085 0.000 1.177 887 A CA 0.687 52.658 52.037 -0.111 0.000 0.804 887 A CB -0.289 18.523 19.000 -0.312 0.000 0.823 887 A HN 0.405 nan 8.150 nan 0.000 0.482 888 K N -1.026 119.330 120.400 -0.073 0.000 3.162 888 K HA -0.158 4.163 4.320 0.001 0.000 0.268 888 K C -0.625 175.930 176.600 -0.075 0.000 1.062 888 K CA 0.815 57.062 56.287 -0.066 0.000 0.769 888 K CB -2.537 29.927 32.500 -0.059 0.000 1.274 888 K HN 0.551 nan 8.250 nan 0.000 0.478 889 L N -0.114 121.056 121.223 -0.088 0.000 2.277 889 L HA 0.519 4.860 4.340 0.001 0.000 0.254 889 L C -0.156 176.649 176.870 -0.108 0.000 1.044 889 L CA -1.108 53.680 54.840 -0.087 0.000 0.842 889 L CB 1.679 43.689 42.059 -0.081 0.000 1.422 889 L HN -0.041 nan 8.230 nan 0.000 0.422 890 D N -0.195 120.126 120.400 -0.131 0.000 2.502 890 D HA 0.208 4.848 4.640 0.001 0.000 0.249 890 D C -0.224 175.930 176.300 -0.243 0.000 1.092 890 D CA -0.265 53.586 54.000 -0.248 0.000 0.839 890 D CB 1.819 42.470 40.800 -0.248 0.000 1.264 890 D HN 0.469 nan 8.370 nan 0.000 0.511 891 Y N 0.061 120.202 120.300 -0.265 0.000 2.546 891 Y HA 0.277 4.827 4.550 0.001 0.000 0.287 891 Y C 0.348 176.008 175.900 -0.401 0.000 1.158 891 Y CA -0.186 57.702 58.100 -0.353 0.000 1.307 891 Y CB 0.274 38.376 38.460 -0.597 0.000 1.036 891 Y HN 0.195 nan 8.280 nan 0.000 0.532 892 E N 1.473 121.289 120.200 -0.641 0.000 2.246 892 E HA 0.240 4.591 4.350 0.001 0.000 0.266 892 E C -1.214 175.243 176.600 -0.238 0.000 0.880 892 E CA -0.983 55.190 56.400 -0.379 0.000 0.762 892 E CB 1.200 30.591 29.700 -0.515 0.000 1.180 892 E HN 0.163 nan 8.360 nan 0.000 0.416 893 K N 4.014 124.358 120.400 -0.093 0.000 2.447 893 K HA 0.010 4.331 4.320 0.001 0.000 0.281 893 K C -0.195 176.366 176.600 -0.065 0.000 1.031 893 K CA -0.149 56.103 56.287 -0.059 0.000 1.019 893 K CB 0.411 32.910 32.500 -0.001 0.000 0.918 893 K HN 0.393 nan 8.250 nan 0.000 0.476 894 K N 2.792 123.151 120.400 -0.068 0.000 2.319 894 K HA 0.206 4.526 4.320 0.001 0.000 0.265 894 K C -0.257 176.338 176.600 -0.009 0.000 1.000 894 K CA -0.558 55.696 56.287 -0.054 0.000 0.943 894 K CB 0.670 33.138 32.500 -0.053 0.000 0.950 894 K HN 0.513 nan 8.250 nan 0.000 0.485 895 A N 1.567 124.386 122.820 -0.003 0.000 2.531 895 A HA 0.133 4.453 4.320 0.001 0.000 0.236 895 A C 0.045 177.662 177.584 0.055 0.000 1.062 895 A CA 0.153 52.205 52.037 0.025 0.000 0.760 895 A CB 0.138 19.147 19.000 0.015 0.000 0.995 895 A HN 0.726 nan 8.150 nan 0.000 0.501 896 S N 0.875 116.633 115.700 0.098 0.000 2.569 896 S HA 0.518 4.988 4.470 0.001 0.000 0.280 896 S C 0.777 175.496 174.600 0.200 0.000 1.111 896 S CA -0.730 57.571 58.200 0.168 0.000 0.887 896 S CB 0.879 64.209 63.200 0.217 0.000 1.095 896 S HN 0.590 nan 8.310 nan 0.000 0.476 897 L N 1.985 123.350 121.223 0.237 0.000 2.191 897 L HA 0.016 4.356 4.340 0.001 0.000 0.212 897 L C 1.218 178.183 176.870 0.158 0.000 1.103 897 L CA 1.275 56.191 54.840 0.127 0.000 0.769 897 L CB -0.467 41.616 42.059 0.040 0.000 0.908 897 L HN 0.655 nan 8.230 nan 0.000 0.438 898 F N -0.168 119.942 119.950 0.267 0.000 2.802 898 F HA -0.075 4.453 4.527 0.001 0.000 0.300 898 F C 1.970 178.008 175.800 0.396 0.000 1.168 898 F CA 0.224 58.509 58.000 0.476 0.000 1.433 898 F CB -0.594 38.653 39.000 0.412 0.000 1.115 898 F HN 0.089 nan 8.300 nan 0.000 0.582 899 D N 0.032 120.628 120.400 0.327 0.000 2.097 899 D HA -0.158 4.483 4.640 0.001 0.000 0.195 899 D C 2.189 178.514 176.300 0.041 0.000 0.989 899 D CA 1.228 55.332 54.000 0.174 0.000 0.827 899 D CB -0.127 40.730 40.800 0.095 0.000 0.966 899 D HN 0.147 nan 8.370 nan 0.000 0.456 900 M N 0.048 119.580 119.600 -0.113 0.000 2.700 900 M HA -0.007 4.474 4.480 0.001 0.000 0.249 900 M C -0.007 175.998 176.300 -0.493 0.000 1.082 900 M CA 0.356 55.468 55.300 -0.314 0.000 1.077 900 M CB -0.919 31.427 32.600 -0.422 0.000 1.477 900 M HN -0.161 nan 8.290 nan 0.000 0.529 901 F N -0.152 119.686 119.950 -0.187 0.000 2.399 901 F HA 0.225 4.753 4.527 0.001 0.000 0.328 901 F C 0.666 176.155 175.800 -0.520 0.000 1.084 901 F CA -1.412 56.311 58.000 -0.461 0.000 1.053 901 F CB 0.594 39.079 39.000 -0.858 0.000 1.209 901 F HN -0.084 nan 8.300 nan 0.000 0.502 902 D N 2.256 122.476 120.400 -0.301 0.000 2.505 902 D HA 0.276 4.917 4.640 0.001 0.000 0.242 902 D C -0.806 175.381 176.300 -0.188 0.000 1.136 902 D CA -0.106 53.784 54.000 -0.184 0.000 0.954 902 D CB -0.201 40.551 40.800 -0.080 0.000 1.002 902 D HN 0.067 nan 8.370 nan 0.000 0.512 903 F N 0.000 120.032 119.950 0.136 0.000 2.286 903 F HA 0.000 4.528 4.527 0.001 0.000 0.279 903 F CA 0.000 58.058 58.000 0.096 0.000 1.383 903 F CB 0.000 39.057 39.000 0.094 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574